Common name
(2S)-4-phenylbutan-2-ol
IUPAC name
(2S)-4-phenylbutan-2-ol
SMILES
c1(ccccc1)CCC(C)O
Common name
(2S)-4-phenylbutan-2-ol
IUPAC name
(2S)-4-phenylbutan-2-ol
SMILES
c1(ccccc1)CCC(C)O
INCHI
InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1
FORMULA
C10H14O
Common name
(2S)-4-phenylbutan-2-ol
IUPAC name
(2S)-4-phenylbutan-2-ol
Molecular weight
150.218
clogP
2.523
clogS
-2.292
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00923 | Atazanavir |
|
Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in combination with other antiretroviral agents for the treatment of HIV-1 infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viy_ligand_4_506.mol2 | 2viy | 1 | -7.52 | C[C@@H](O)CCc1ccccc1 | 11 |
| 2b8l_ligand_4_128.mol2 | 2b8l | 1 | -7.51 | C[C@@H](O)CCc1ccccc1 | 11 |
| 2xfi_ligand_4_205.mol2 | 2xfi | 1 | -7.49 | c1(ccccc1)CC[C@@H](C)O | 11 |
| 2b8v_ligand_4_91.mol2 | 2b8v | 1 | -7.46 | c1ccccc1CC[C@H](O)C | 11 |
| 4oc6_ligand_4_1380.mol2 | 4oc6 | 1 | -7.14 | c1(ccccc1)CC[C@@H](O)C | 11 |
| 1lee_ligand_4_594.mol2 | 1lee | 1 | -7.13 | C([C@H](C)O)Cc1ccccc1 | 11 |
212 ,
22
