Common name
isobutane
IUPAC name
isobutane
SMILES
C(C)(C)C
Common name
isobutane
IUPAC name
isobutane
SMILES
C(C)(C)C
INCHI
InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3
FORMULA
C4H10
Common name
isobutane
IUPAC name
isobutane
Molecular weight
58.122
clogP
0.723
clogS
-0.909
Frequency
0.0611
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02752 | ametridione |
|
Herbicide | Herbicide |
| FDBD02753 | amibuzin |
|
Herbicide | Herbicide |
| FDBD02754 | ethiozin |
|
Herbicide | Herbicide |
| FDBD02756 | isomethiozin |
|
Herbicide | Herbicide |
| FDBD02758 | metribuzin |
|
Herbicide | Herbicide |
| FDBD02770 | terbacil |
|
Herbicide | Herbicide |
| FDBD02840 | tebuthiuron |
|
Herbicide | Herbicide |
| FDBD02850 | buthidazole |
|
Herbicide | Herbicide |
| FDBD02902 | diclocymet |
|
Fungicide | Fungicide |
| FDBD02914 | penthiopyrad |
|
Fungicide | Fungicide |
178 ,
18
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u82_ligand_1_10.mol2 | 4u82 | 1 | -6.40 | CC(C)C | 4 |
| 2uxz_ligand_1_10.mol2 | 2uxz | 1 | -6.39 | C(C)(C)(C)C | 5 |
| 3ekw_ligand_1_12.mol2 | 3ekw | 1 | -6.39 | CC(C)(C)C | 5 |
| 3eky_ligand_1_12.mol2 | 3eky | 1 | -6.39 | C(C)(C)(C)C | 5 |
| 3g19_ligand_1_2.mol2 | 3g19 | 1 | -6.39 | CC(C)C | 4 |
| 4h7q_ligand_1_1.mol2 | 4h7q | 1 | -6.39 | CC(C)C | 4 |
| 4h85_ligand_1_1.mol2 | 4h85 | 1 | -6.39 | CC(C)C | 4 |
| 3el9_ligand_1_1.mol2 | 3el9 | 1 | -6.38 | CC(C)(C)C | 5 |
| 184l_ligand_1_1.mol2 | 184l | 1 | -6.37 | C(C)(C)C | 4 |
| 1esz_ligand_2_8.mol2 | 1esz | 1 | -6.37 | C(C)(C)C | 4 |
6909 ,
691
