Common name
propanamide
IUPAC name
propanamide
SMILES
CCC(=O)N
Common name
propanamide
IUPAC name
propanamide
SMILES
CCC(=O)N
INCHI
InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
FORMULA
C3H7NO
Common name
propanamide
IUPAC name
propanamide
Molecular weight
73.094
clogP
-0.459
clogS
-0.125
Frequency
0.0148
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02397 | naproanilide |
|
Herbicide | Herbicide |
| FDBD02398 | pentanochlor |
|
Herbicide | Herbicide |
| FDBD02400 | propanil |
|
Herbicide | Herbicide |
43 ,
5
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2j62_ligand_1_0.mol2 | 2j62 | 1 | -6.47 | CC(C)C(=O)N | 6 |
| 3g0i_ligand_3_6.mol2 | 3g0i | 1 | -6.41 | CC(C)C(=O)N | 6 |
| 1wdn_ligand_2_2.mol2 | 1wdn | 1 | -6.30 | C(C(=O)N)C | 5 |
| 5cal_ligand_2_20.mol2 | 5cal | 1 | -6.30 | C(=O)(N)C(C)(C)C | 7 |
| 4g4p_ligand_2_2.mol2 | 4g4p | 1 | -6.20 | C(=O)(N)CC | 5 |
| 4kqp_ligand_2_2.mol2 | 4kqp | 1 | -6.20 | CCC(=O)N | 5 |
| 2qpj_ligand_3_108.mol2 | 2qpj | 1 | -6.18 | C(=O)(N)C(C)C | 6 |
| 3m6p_ligand_3_45.mol2 | 3m6p | 1 | -6.17 | C(C(=O)N)(C)C | 6 |
| 4jt8_ligand_1_0.mol2 | 4jt8 | 1 | -6.17 | CC(C)(C)C(=O)N | 7 |
1619 ,
162
