Common name
N-[2-hydroxyethyl(methyl)amino]formamide
IUPAC name
N-[2-hydroxyethyl(methyl)amino]formamide
SMILES
CN(NC=O)CCO
Common name
N-[2-hydroxyethyl(methyl)amino]formamide
IUPAC name
N-[2-hydroxyethyl(methyl)amino]formamide
SMILES
CN(NC=O)CCO
INCHI
InChI=1S/C4H10N2O2/c1-6(2-3-7)5-4-8/h4,7H,2-3H2,1H3,(H,5,8)
FORMULA
C4H10N2O2
Common name
N-[2-hydroxyethyl(methyl)amino]formamide
IUPAC name
N-[2-hydroxyethyl(methyl)amino]formamide
Molecular weight
118.134
clogP
-1.413
clogS
0.213
Frequency
0.0003
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
52.57
Number of Rings
0
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 |
|---|---|---|---|---|---|
| 2cej_ligand_3_87.mol2 | 2cej | 1 | -5.41 | C(CO)[N@@H+](C)NC=O | 8 |
| 2bqv_ligand_3_87.mol2 | 2bqv | 1 | -5.32 | C(CO)[N@@H+](C)NC=O | 8 |
| 2o4k_ligand_4_1694.mol2 | 2o4k | 1 | -5.28 | N(C=O)[N@@H+](C)CCO | 8 |
| 2aqu_ligand_4_1694.mol2 | 2aqu | 1 | -5.27 | C[N@H+](NC=O)CCO | 8 |
| 1hii_ligand_4_1295.mol2 | 1hii | 1 | -5.26 | [N@@H+](CCO)(C)NC=O | 8 |
| 3aid_ligand_4_315.mol2 | 3aid | 1 | -5.26 | N(C=O)[N+](C)(CCO)C | 9 |
| 3ekw_ligand_4_1694.mol2 | 3ekw | 1 | -5.26 | C[N@H+](NC=O)CCO | 8 |
| 3eky_ligand_4_1694.mol2 | 3eky | 1 | -5.25 | C([N@H+](C)NC=O)CO | 8 |
| 1hih_ligand_4_1295.mol2 | 1hih | 1 | -5.24 | C(CO)[N@@H+](NC=O)C | 8 |
| 3el1_ligand_4_1694.mol2 | 3el1 | 1 | -5.24 | C[N@H+](NC=O)CCO | 8 |
115 ,
12
