Common name
4-methylpentanamide
IUPAC name
4-methylpentanamide
SMILES
O=C(N)CCC(C)C
Common name
4-methylpentanamide
IUPAC name
4-methylpentanamide
SMILES
O=C(N)CCC(C)C
INCHI
InChI=1S/C6H13NO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
FORMULA
C6H13NO
Common name
4-methylpentanamide
IUPAC name
4-methylpentanamide
Molecular weight
115.174
clogP
0.520
clogS
-1.047
Frequency
0.0007
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00648 | Marimastat |
|
Enzyme Inhibitors; | For the treatment of various cancers. |
| FDBD01114 | Carbetocin |
|
Oxytocics; Delayed-Action Preparations; Anti-tocolytic Agents; Labor Induction Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Posterior Pituitary Lobe Hormones; Oxytocin and Analogues; | Used to control postpartum hemorrhage and bleeding after giving birth. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g0i_ligand_4_0.mol2 | 3g0i | 1 | -6.85 | C[C@H](CCC)C(=O)N | 8 |
| 3g0i_ligand_4_4.mol2 | 3g0i | 1 | -6.84 | C([C@H](C)C(=O)N)CC | 8 |
| 1mnc_ligand_4_56.mol2 | 1mnc | 1 | -6.78 | C([C@H](C)C(=O)N)C(C)C | 9 |
| 1mmr_ligand_4_11.mol2 | 1mmr | 1 | -6.77 | C(=O)(N)[C@@H](C)CC(C)C | 9 |
| 1rm8_ligand_4_334.mol2 | 1rm8 | 1 | -6.74 | C(C)(C)C[C@@H](C(=O)N)C | 9 |
| 1y3g_ligand_4_680.mol2 | 1y3g | 1 | -6.74 | C[C@H](C(=O)N)CC(C)C | 9 |
| 1mmq_ligand_4_11.mol2 | 1mmq | 1 | -6.73 | C(C(C)C)[C@H](C)C(=O)N | 9 |
| 1biw_ligand_4_289.mol2 | 1biw | 1 | -6.69 | NC(=O)[C@@H](C)CC(C)C | 9 |
| 2w12_ligand_4_175.mol2 | 2w12 | 1 | -6.66 | [C@@H](CC(C)C)(C)C(=O)N | 9 |
371 ,
38
