Common name
2-aminoethyl formate
IUPAC name
2-aminoethyl formate
SMILES
C(COC=O)N
Common name
2-aminoethyl formate
IUPAC name
2-aminoethyl formate
SMILES
C(COC=O)N
INCHI
InChI=1S/C3H7NO2/c4-1-2-6-3-5/h3H,1-2,4H2
FORMULA
C3H7NO2
Common name
2-aminoethyl formate
IUPAC name
2-aminoethyl formate
Molecular weight
89.093
clogP
-0.568
clogS
0.080
Frequency
0.0027
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00585 | Procaine |
|
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Nervous System; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Esters of Aminobenzoic Acid; Antiemetics Antagonists; | Used as a local anesthetic primarily in oral surgery. |
| FDBD00666 | Dicyclomine |
|
For the treatment of functional bowel/irritable bowel syndrome | |
| FDBD00669 | Proparacaine |
|
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Local Anesthetics; | Used as a local (ophthalmic) anesthetic. |
| FDBD00751 | Oxybuprocaine |
|
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Dermatologicals; Local Anesthetics; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; | Used to temporarily numb the front surface of the eye so that the eye pressure can be measured or a foreign body removed. |
| FDBD01008 | Chloroprocaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Esters of Aminobenzoic Acid; Antiemetics Antagonists; | For the production of local anesthesia by infiltration and peripheral nerve block. They are not to be used for lumbar or caudal epidural anesthesia. |
| FDBD01524 | Bopindolol |
|
Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; | For the management of hypertension, edema, ventricular tachycardias, and atrial fibrillation. |
| FDBD01816 | Propoxycaine |
|
Anesthetics, Local; | |
| FDBD02441 | cambendichlor |
|
Herbicide | Herbicide |
8 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bc4_ligand_1_0.mol2 | 3bc4 | 1 | -4.84 | C(=O)OCC[NH3+] | 6 |
| 3bc4_ligand_2_0.mol2 | 3bc4 | 0.823529 | -5.13 | C(=O)(OCC[NH3+])C | 7 |
| 4b2l_ligand_frag_0.mol2 | 4b2l | 0.75 | -4.89 | [NH3+]CC(=O)OC | 6 |
| 4ntj_ligand_frag_1.mol2 | 4ntj | 0.642857 | -5.64 | O=COCC | 5 |
| 1p6d_ligand_1_5.mol2 | 1p6d | 0.642857 | -5.60 | C(OC=O)C | 5 |
| 1p6e_ligand_1_4.mol2 | 1p6e | 0.642857 | -5.59 | CCOC=O | 5 |
| 1p6d_ligand_1_4.mol2 | 1p6d | 0.642857 | -5.51 | C(OC=O)C | 5 |
| 2nqg_ligand_frag_0.mol2 | 2nqg | 0.642857 | -5.46 | CCOC=O | 5 |
110 ,
12
