Common name
N-(dimethylamino)formamide
IUPAC name
N-(dimethylamino)formamide
SMILES
CN(NC=O)C
Common name
N-(dimethylamino)formamide
IUPAC name
N-(dimethylamino)formamide
SMILES
CN(NC=O)C
INCHI
InChI=1S/C3H8N2O/c1-5(2)4-3-6/h3H,1-2H3,(H,4,6)
FORMULA
C3H8N2O
Common name
N-(dimethylamino)formamide
IUPAC name
N-(dimethylamino)formamide
Molecular weight
88.108
clogP
-1.265
clogS
0.110
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.34
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 |
|---|---|---|---|---|---|
| 1bma_ligand_3_185.mol2 | 1bma | 1 | -5.40 | C[N+](C)(NC=O)C | 7 |
| 3aid_ligand_3_155.mol2 | 3aid | 1 | -5.35 | C[N+](C)(C)NC=O | 7 |
| 2cem_ligand_3_164.mol2 | 2cem | 1 | -5.32 | C[NH+](NC=O)C | 6 |
| 2cen_ligand_3_164.mol2 | 2cen | 1 | -5.31 | C[NH+](NC=O)C | 6 |
| 2wkz_ligand_3_215.mol2 | 2wkz | 1 | -5.31 | [NH+](NC=O)(C)C | 6 |
| 2xye_ligand_3_483.mol2 | 2xye | 1 | -5.31 | C[NH+](C)NC=O | 6 |
124 ,
13
