Common name
N'-methylacetohydrazide
IUPAC name
N'-methylacetohydrazide
SMILES
N(NC(=O)C)C
Common name
N'-methylacetohydrazide
IUPAC name
N'-methylacetohydrazide
SMILES
N(NC(=O)C)C
INCHI
InChI=1S/C3H8N2O/c1-3(6)5-4-2/h4H,1-2H3,(H,5,6)
FORMULA
C3H8N2O
Common name
N'-methylacetohydrazide
IUPAC name
N'-methylacetohydrazide
Molecular weight
88.108
clogP
-0.974
clogS
-0.605
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
41.13
Number of Rings
0
Rotatable Bond
1
| 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_2_48.mol2 | 3mlb | 1 | -5.74 | CNNC(=O)C | 6 |
| 2fq6_ligand_2_26.mol2 | 2fq6 | 1 | -5.68 | N(C(=O)C)NC | 6 |
| 2cen_ligand_3_166.mol2 | 2cen | 1 | -5.54 | CC(=O)N[NH2+]C | 6 |
| 2cem_ligand_3_166.mol2 | 2cem | 1 | -5.53 | N(C(=O)C)[NH2+]C | 6 |
| 2cen_ligand_3_186.mol2 | 2cen | 1 | -5.51 | CC(=O)N[NH2+]C | 6 |
| 2bqv_ligand_3_108.mol2 | 2bqv | 1 | -5.49 | CC(=O)N[NH2+]C | 6 |
| 2cem_ligand_3_186.mol2 | 2cem | 1 | -5.49 | C[NH2+]NC(=O)C | 6 |
| 2uxz_ligand_3_265.mol2 | 2uxz | 1 | -5.49 | C[NH2+]NC(=O)C | 6 |
| 2uxz_ligand_3_275.mol2 | 2uxz | 1 | -5.49 | C[NH2+]NC(=O)C | 6 |
| 2cej_ligand_3_108.mol2 | 2cej | 1 | -5.48 | CC(=O)N[NH2+]C | 6 |
102 ,
11
