Common name
N-[(1S,2R)-2-hydroxyindan-1-yl]acetamide
IUPAC name
N-[(1S,2R)-2-hydroxyindan-1-yl]acetamide
SMILES
CC(=O)NC1C(Cc2c1cccc2)O
Common name
N-[(1S,2R)-2-hydroxyindan-1-yl]acetamide
IUPAC name
N-[(1S,2R)-2-hydroxyindan-1-yl]acetamide
SMILES
CC(=O)NC1C(Cc2c1cccc2)O
INCHI
InChI=1S/C11H13NO2/c1-7(13)12-11-9-5-3-2-4-8(9)6-10(11)14/h2-5,10-11,14H,6H2,1H3,(H,12,13)/t10-,11+/m1/s1
FORMULA
C11H13NO2
Common name
N-[(1S,2R)-2-hydroxyindan-1-yl]acetamide
IUPAC name
N-[(1S,2R)-2-hydroxyindan-1-yl]acetamide
Molecular weight
191.226
clogP
1.278
clogS
-1.976
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
2
Rotatable Bond
1
| 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 |
|---|---|---|---|---|---|
| 1sdt_ligand_2_61.mol2 | 1sdt | 1 | -7.78 | C(=O)(N[C@@H]1[C@@H](Cc2ccccc12)O)C | 14 |
| 1sdv_ligand_2_61.mol2 | 1sdv | 1 | -7.75 | CC(=O)N[C@@H]1[C@@H](Cc2ccccc12)O | 14 |
| 1ec0_ligand_2_67.mol2 | 1ec0 | 1 | -7.67 | CC(=O)N[C@H]1c2c(cccc2)C[C@H]1O | 14 |
| 1c70_ligand_2_58.mol2 | 1c70 | 1 | -7.65 | [C@@H]1(c2c(C[C@H]1O)cccc2)NC(=O)C | 14 |
| 1sdu_ligand_2_61.mol2 | 1sdu | 1 | -7.64 | C(=O)(N[C@@H]1[C@@H](Cc2ccccc12)O)C | 14 |
| 1d4j_ligand_2_38.mol2 | 1d4j | 1 | -7.63 | CC(=O)N[C@H]1c2ccccc2C[C@H]1O | 14 |
| 2r5p_ligand_2_61.mol2 | 2r5p | 1 | -7.61 | CC(=O)N[C@@H]1[C@@H](Cc2ccccc12)O | 14 |
| 1d4h_ligand_2_38.mol2 | 1d4h | 1 | -7.60 | [C@@H]1(c2ccccc2C[C@H]1O)NC(=O)C | 14 |
| 1d4i_ligand_2_68.mol2 | 1d4i | 1 | -7.60 | CC(=O)N[C@H]1c2c(cccc2)C[C@H]1O | 14 |
| 1w5x_ligand_2_69.mol2 | 1w5x | 1 | -7.57 | CC(=O)N[C@H]1c2c(cccc2)C[C@H]1O | 14 |
108 ,
11
