Common name
(2S)-2-formamido-N-methyl-propanamide
IUPAC name
(2S)-2-formamido-N-methyl-propanamide
SMILES
C(=O)NC(C(=O)NC)C
Common name
(2S)-2-formamido-N-methyl-propanamide
IUPAC name
(2S)-2-formamido-N-methyl-propanamide
SMILES
C(=O)NC(C(=O)NC)C
INCHI
InChI=1S/C5H10N2O2/c1-4(7-3-8)5(9)6-2/h3-4H,1-2H3,(H,6,9)(H,7,8)/t4-/m0/s1
FORMULA
C5H10N2O2
Common name
(2S)-2-formamido-N-methyl-propanamide
IUPAC name
(2S)-2-formamido-N-methyl-propanamide
Molecular weight
130.145
clogP
-0.650
clogS
-0.667
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
58.2
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00077 | Bortezomib |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For treatment of multiple myeloma in patients who have not been successfully treated with at least two previous therapies. |
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7c_ligand_3_308.mol2 | 1a7c | 1 | -6.49 | C(=O)(NC)[C@@H](NC=O)C | 9 |
| 4fys_ligand_4_1241.mol2 | 4fys | 1 | -6.10 | [C@@H](NC=O)(C(=O)NC)C | 9 |
| 3d91_ligand_4_1611.mol2 | 3d91 | 1 | -6.08 | CNC(=O)[C@@H](NC=O)C | 9 |
| 4j7i_ligand_4_2173.mol2 | 4j7i | 1 | -6.07 | C[C@H](NC=O)C(=O)NC | 9 |
| 1mnc_ligand_3_80.mol2 | 1mnc | 1 | -6.03 | C[C@@H](C(=O)NC)NC=O | 9 |
| 1gmy_ligand_4_56.mol2 | 1gmy | 1 | -6.02 | N(C=O)[C@@H](C)C(=O)NC | 9 |
| 1bxq_ligand_4_1380.mol2 | 1bxq | 1 | -6.00 | C(=O)N[C@@H](C)C(=O)NC | 9 |
| 1ppm_ligand_3_147.mol2 | 1ppm | 1 | -6.00 | C(=O)(NC)[C@@H](NC=O)C | 9 |
387 ,
39
