Common name
N'-benzylacetohydrazide
IUPAC name
N'-benzylacetohydrazide
SMILES
C(c1ccccc1)NNC(=O)C
Common name
N'-benzylacetohydrazide
IUPAC name
N'-benzylacetohydrazide
SMILES
C(c1ccccc1)NNC(=O)C
INCHI
InChI=1S/C9H12N2O/c1-8(12)11-10-7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,11,12)
FORMULA
C9H12N2O
Common name
N'-benzylacetohydrazide
IUPAC name
N'-benzylacetohydrazide
Molecular weight
164.204
clogP
0.926
clogS
-2.475
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
41.13
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 |
|---|---|---|---|---|---|
| 3mlb_ligand_3_82.mol2 | 3mlb | 1 | -7.41 | C(NNC(=O)C)c1ccccc1 | 12 |
| 2cen_ligand_4_460.mol2 | 2cen | 1 | -6.69 | [NH2+](NC(=O)C)Cc1ccccc1 | 12 |
| 2bqv_ligand_4_147.mol2 | 2bqv | 1 | -6.66 | CC(=O)N[NH2+]Cc1ccccc1 | 12 |
| 2cem_ligand_4_460.mol2 | 2cem | 1 | -6.63 | C([NH2+]NC(=O)C)c1ccccc1 | 12 |
| 2wkz_ligand_4_700.mol2 | 2wkz | 1 | -6.62 | [NH2+](NC(=O)C)Cc1ccccc1 | 12 |
| 2o4k_ligand_4_1787.mol2 | 2o4k | 1 | -6.50 | N(C(=O)C)[NH2+]Cc1ccccc1 | 12 |
| 3ekw_ligand_4_1787.mol2 | 3ekw | 1 | -6.47 | C(c1ccccc1)[NH2+]NC(=O)C | 12 |
| 2wl0_ligand_4_700.mol2 | 2wl0 | 1 | -6.46 | c1(ccccc1)C[NH2+]NC(=O)C | 12 |
| 3eky_ligand_4_1787.mol2 | 3eky | 1 | -6.43 | [NH2+](Cc1ccccc1)NC(=O)C | 12 |
100 ,
11
