Common name
3,3-dimethylbutanehydrazide
IUPAC name
3,3-dimethylbutanehydrazide
SMILES
O=C(NN)CC(C)(C)C
Common name
3,3-dimethylbutanehydrazide
IUPAC name
3,3-dimethylbutanehydrazide
SMILES
O=C(NN)CC(C)(C)C
INCHI
InChI=1S/C6H14N2O/c1-6(2,3)4-5(9)8-7/h4,7H2,1-3H3,(H,8,9)
FORMULA
C6H14N2O
Common name
3,3-dimethylbutanehydrazide
IUPAC name
3,3-dimethylbutanehydrazide
Molecular weight
130.188
clogP
-0.306
clogS
-1.099
Frequency
0.0003
HBond Acceptor
1
HBond Donor
3
Total PolarSurface Area
55.12
Number of Rings
0
Rotatable Bond
2
| 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 |
|---|---|---|---|---|---|
| 2cem_ligand_4_434.mol2 | 2cem | 0.782609 | -6.69 | N(C(=O)CC(C)(C)C)[NH2+]C | 10 |
| 2cen_ligand_4_434.mol2 | 2cen | 0.782609 | -6.67 | C[NH2+]NC(=O)CC(C)(C)C | 10 |
| 2cem_ligand_4_464.mol2 | 2cem | 0.782609 | -6.65 | C[NH2+]NC(=O)CC(C)(C)C | 10 |
| 2cen_ligand_4_464.mol2 | 2cen | 0.782609 | -6.63 | [NH2+](NC(=O)CC(C)(C)C)C | 10 |
| 2wkz_ligand_4_639.mol2 | 2wkz | 0.782609 | -6.63 | [NH2+](C)NC(=O)CC(C)(C)C | 10 |
| 2wkz_ligand_4_704.mol2 | 2wkz | 0.782609 | -6.63 | [NH2+](NC(=O)CC(C)(C)C)C | 10 |
| 2cej_ligand_4_259.mol2 | 2cej | 0.782609 | -6.61 | C(C(C)(C)C)C(=O)N[NH2+]C | 10 |
| 2wl0_ligand_4_639.mol2 | 2wl0 | 0.782609 | -6.60 | C(C(=O)N[NH2+]C)C(C)(C)C | 10 |
| 2wl0_ligand_4_704.mol2 | 2wl0 | 0.782609 | -6.60 | C[NH2+]NC(=O)CC(C)(C)C | 10 |
| 2uxz_ligand_4_699.mol2 | 2uxz | 0.782609 | -6.58 | C(C)(C)(C)CC(=O)N[NH2+]C | 10 |
679 ,
68
