Common name
2-methylpentane
IUPAC name
2-methylpentane
SMILES
C(C)CC(C)C
Common name
2-methylpentane
IUPAC name
2-methylpentane
SMILES
C(C)CC(C)C
INCHI
InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
FORMULA
C6H14
Common name
2-methylpentane
IUPAC name
2-methylpentane
Molecular weight
86.175
clogP
1.609
clogS
-1.794
Frequency
0.0052
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01989 | methoprene |
|
Insecticide | Insecticide |
| FDBD01991 | triprene |
|
Insecticide | Insecticide |
| FDBD02396 | monalide |
|
Herbicide | Herbicide |
| FDBD02914 | penthiopyrad |
|
Fungicide | Fungicide |
| FDBD02935 | penflufen |
|
Fungicide | Fungicide |
15 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mga_ligand_2_0.mol2 | 4mga | 1 | -6.98 | C(C(C)(C)C)C(C)C | 8 |
| 1ikt_ligand_2_0.mol2 | 1ikt | 1 | -6.97 | C(C)(C)CC(C)(C)C | 8 |
| 2yiu_ligand_4_296.mol2 | 2yiu | 1 | -6.87 | C(C)(C)CC(C)C | 7 |
| 3hy5_ligand_3_31.mol2 | 3hy5 | 1 | -6.74 | CC(C)CCC | 6 |
| 1gt3_ligand_3_0.mol2 | 1gt3 | 1 | -6.73 | CCC(C)CC | 6 |
| 4u82_ligand_4_680.mol2 | 4u82 | 1 | -6.69 | CCCC(C)C | 6 |
| 5d1r_ligand_3_64.mol2 | 5d1r | 1 | -6.67 | CCCCC | 5 |
| 2igx_ligand_3_100.mol2 | 2igx | 1 | -6.63 | CCCCC | 5 |
| 2yiu_ligand_3_130.mol2 | 2yiu | 1 | -6.61 | C(C)(C)CCC | 6 |
| 2vcg_ligand_4_205.mol2 | 2vcg | 1 | -6.59 | C(C)CCC | 5 |
1224 ,
123
