Common name
(2R)-3-hydroxy-N,2-dimethyl-propanamide
IUPAC name
(2R)-3-hydroxy-N,2-dimethyl-propanamide
SMILES
O=C(NC)C(C)CO
Common name
(2R)-3-hydroxy-N,2-dimethyl-propanamide
IUPAC name
(2R)-3-hydroxy-N,2-dimethyl-propanamide
SMILES
O=C(NC)C(C)CO
INCHI
InChI=1S/C5H11NO2/c1-4(3-7)5(8)6-2/h4,7H,3H2,1-2H3,(H,6,8)/t4-/m1/s1
FORMULA
C5H11NO2
Common name
(2R)-3-hydroxy-N,2-dimethyl-propanamide
IUPAC name
(2R)-3-hydroxy-N,2-dimethyl-propanamide
Molecular weight
117.146
clogP
-0.303
clogS
-0.480
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00648 | Marimastat |
|
Enzyme Inhibitors; | For the treatment of various cancers. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fxu_ligand_3_6.mol2 | 2fxu | 1 | -6.22 | [C@@H](C)(C(=O)NC)CO | 8 |
| 1a7c_ligand_3_354.mol2 | 1a7c | 1 | -5.95 | CNC(=O)CCO | 7 |
| 3hy7_ligand_4_12.mol2 | 3hy7 | 1 | -5.84 | N(C(=O)[C@@H](CO)C)C | 8 |
| 3dm6_ligand_3_540.mol2 | 3dm6 | 1 | -5.74 | C(=O)(NC)CCO | 7 |
143 ,
15
