Common name
indan-2-ol
IUPAC name
indan-2-ol
SMILES
C1C(Cc2c1cccc2)O
Common name
indan-2-ol
IUPAC name
indan-2-ol
SMILES
C1C(Cc2c1cccc2)O
INCHI
InChI=1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2
FORMULA
C9H10O
Common name
indan-2-ol
IUPAC name
indan-2-ol
Molecular weight
134.175
clogP
2.236
clogS
-1.783
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00112 | Indinavir |
|
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; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indinavir is an antiretroviral drug for the treatment of HIV infection. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uy0_ligand_frag_12.mol2 | 2uy0 | 1 | -7.32 | C1c2ccccc2CC1O | 10 |
| 1sdt_ligand_frag_10.mol2 | 1sdt | 1 | -7.31 | C1C(Cc2ccccc12)O | 10 |
| 1sdv_ligand_frag_10.mol2 | 1sdv | 1 | -7.29 | C1C(Cc2ccccc12)O | 10 |
| 2uxz_ligand_frag_9.mol2 | 2uxz | 1 | -7.29 | C1c2c(cccc2)CC1O | 10 |
| 2cej_ligand_frag_7.mol2 | 2cej | 1 | -7.27 | C1c2c(cccc2)CC1O | 10 |
| 2cem_ligand_frag_1.mol2 | 2cem | 1 | -7.24 | C1c2ccccc2CC1O | 10 |
| 1c70_ligand_frag_10.mol2 | 1c70 | 1 | -7.23 | C1c2c(CC1O)cccc2 | 10 |
| 1sdu_ligand_frag_10.mol2 | 1sdu | 1 | -7.22 | C1C(Cc2ccccc12)O | 10 |
| 2wkz_ligand_frag_6.mol2 | 2wkz | 1 | -7.21 | C1C(Cc2ccccc12)O | 10 |
| 1ec0_ligand_frag_13.mol2 | 1ec0 | 1 | -7.20 | C1c2c(cccc2)CC1O | 10 |
290 ,
30
