Common name
(2R)-2-methylpentanamide
IUPAC name
(2R)-2-methylpentanamide
SMILES
C(CC)[C@@H](C)C(=O)N
Common name
(2R)-2-methylpentanamide
IUPAC name
(2R)-2-methylpentanamide
SMILES
C(CC)[C@@H](C)C(=O)N
INCHI
InChI=1S/C6H13NO/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)/t5-/m1/s1
FORMULA
C6H13NO
Common name
(2R)-2-methylpentanamide
IUPAC name
(2R)-2-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 |
|---|---|---|---|---|
| FDBD02387 | erlujixiancaoan |
|
Herbicide | Herbicide |
| FDBD02398 | pentanochlor |
|
Herbicide | Herbicide |
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
