Common name
isopropyl formate
IUPAC name
isopropyl formate
SMILES
O(C=O)C(C)C
Common name
isopropyl formate
IUPAC name
isopropyl formate
SMILES
O(C=O)C(C)C
INCHI
InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3
FORMULA
C4H8O2
Common name
isopropyl formate
IUPAC name
isopropyl formate
Molecular weight
88.105
clogP
0.265
clogS
-0.290
Frequency
0.0048
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00174 | Travoprost |
|
Antihypertensive Agents; Prostaglandins, Synthetic; Anti-glaucoma Agents; Ophthalmics; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; | Ophthalmic solution used for the reduction of elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension who are intolerant of other intraocular pressure lowering medications or insufficiently responsive (failed to achieve target IOP determined after multiple measurements over time) to another intraocular pressure lowering medication. |
| FDBD00346 | Hexylcaine |
|
Anesthetics, Local; | Used as a local anesthetic for surface application, infiltration or nerve block. |
| FDBD00519 | Latanoprost |
|
Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; | For the reduction of elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension. |
| FDBD00891 | Fenofibrate |
|
Anticholesteremic Agents; Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For use as adjunctive therapy to diet to reduce elevated LDL-C, Total-C,Triglycerides and Apo B, and to increase HDL-C in adult patients with primary hypercholesterolemia or mixed dyslipidemia (Fredrickson Types IIa and IIb). |
| FDBD01524 | Bopindolol |
|
Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; | For the management of hypertension, edema, ventricular tachycardias, and atrial fibrillation. |
| FDBD01531 | Tafluprost |
|
Prostaglandins, Synthetic; Ophthalmics; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; | Tafluprost is indicated for reducing elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension. |
| FDBD01584 | Sofosbuvir |
|
Antiviral Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | Sofosbuvir is used in combination therapy to treat chronic hepatitis C virus (HCV) infected patients with HCV genoptype 1,2,3, or 4, and to treat HCV and HIV co-infected patients. The combination therapy includes either ribavirin alone or ribavirin and peg-interferon alfa. |
| FDBD01795 | Tenofovir alafenamide |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | For use in the treatment of HIV infection and chronic hepatitis B. |
| FDBD02212 | isocarbophos |
|
Insecticide | Insecticide |
| FDBD02665 | fluazolate |
|
Herbicide | Herbicide |
14 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1p6d_ligand_2_54.mol2 | 1p6d | 1 | -5.93 | C(OC=O)(C)C | 6 |
| 1p6e_ligand_2_36.mol2 | 1p6e | 1 | -5.90 | CC(C)OC=O | 6 |
| 5d1r_ligand_frag_10.mol2 | 5d1r | 1 | -5.47 | C(=O)OC(C)C | 6 |
| 4ntj_ligand_frag_1.mol2 | 4ntj | 0.9 | -5.64 | O=COCC | 5 |
| 1p6d_ligand_1_5.mol2 | 1p6d | 0.9 | -5.60 | C(OC=O)C | 5 |
| 1p6e_ligand_1_4.mol2 | 1p6e | 0.9 | -5.59 | CCOC=O | 5 |
| 1p6d_ligand_1_4.mol2 | 1p6d | 0.9 | -5.51 | C(OC=O)C | 5 |
| 2nqg_ligand_frag_0.mol2 | 2nqg | 0.9 | -5.46 | CCOC=O | 5 |
| 2nqi_ligand_frag_0.mol2 | 2nqi | 0.9 | -5.46 | CCOC=O | 5 |
193 ,
20
