Common name
propan-2-ol
IUPAC name
propan-2-ol
SMILES
CC(O)C
Common name
propan-2-ol
IUPAC name
propan-2-ol
SMILES
CC(O)C
INCHI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
FORMULA
C3H8O
Common name
propan-2-ol
IUPAC name
propan-2-ol
Molecular weight
60.095
clogP
-0.132
clogS
0.047
Frequency
0.0278
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01565 | Bedaquiline |
|
Antitubercular Agents; Antimycobacterials; Antiinfectives for Systemic Use; CYP3A4 Inhibitors; | Bedaquiline is indicated as part of combination therapy in adults ( |
| FDBD01607 | Etofibrate |
|
Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; | |
| FDBD01651 | Ceritinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; | Ceritinib is a kinase inhibitor indicated for the treatment of patients with anaplastic lymphoma kinase (ALK)-positive metastatic non-small cell lung cancer (NSCLC) who have progressed on or are intolerant to crizotinib. This indication is approved under accelerated approval based on tumor response rate and duration of response. An improvement in survival or disease-related symptoms has not been established. Continued approval for this indication may be contingent upon verification and description of clinical benefit in confirmatory trials. |
| FDBD01674 | Xanthinol |
|
Vasodilator Agents; | |
| FDBD01737 | Arotinolol |
|
; | Used in the treatment of high blood pressure. |
| 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. |
| FDBD01823 | Levobetaxolol |
|
; | |
| FDBD01909 | propoxur |
|
Insecticide | Insecticide |
| FDBD01990 | pyriproxyfen |
|
Insecticide | Insecticide |
| FDBD02002 | ecdysterone |
|
Insecticide | Insecticide |
81 ,
9
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gt3_ligand_frag_4.mol2 | 1gt3 | 1 | -6.36 | CC(O)(C)C | 5 |
| 1rjk_ligand_frag_4.mol2 | 1rjk | 1 | -6.36 | CC(O)(C)C | 5 |
| 2o4j_ligand_1_0.mol2 | 2o4j | 1 | -6.35 | CC(O)(C)C | 5 |
| 2o4r_ligand_frag_3.mol2 | 2o4r | 1 | -6.35 | CC(O)(C)C | 5 |
| 1ie9_ligand_frag_4.mol2 | 1ie9 | 1 | -6.29 | CC(O)(C)C | 5 |
| 1db1_ligand_frag_4.mol2 | 1db1 | 1 | -6.27 | CC(O)(C)C | 5 |
503 ,
51
