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 |
|---|---|---|---|---|
| FDBD01998 | methoxyfenozide |
|
Insecticide | Insecticide |
| FDBD01999 | tebufenozide |
|
Insecticide | Insecticide |
| FDBD02000 | yishijing |
|
Insecticide | Insecticide |
| FDBD02107 | terbufos |
|
Insecticide | Insecticide |
| FDBD02147 | butathiofos |
|
Insecticide | Insecticide |
| FDBD02156 | tebupirimfos |
|
Insecticide | Insecticide |
| FDBD02203 | crufomate |
|
Insecticide | Insecticide |
| FDBD02225 | tebufenpyrad |
|
Insecticide | Insecticide |
| FDBD02304 | etofenprox |
|
Insecticide | Insecticide |
| FDBD02306 | halfenprox |
|
Insecticide | Insecticide |
178 ,
18
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_1_3.mol2 | 4m3f | 1 | -6.56 | CC(C)C | 4 |
| 3cvk_ligand_1_3.mol2 | 3cvk | 1 | -6.55 | CC(C)(C)C | 5 |
| 1usk_ligand_1_1.mol2 | 1usk | 1 | -6.54 | CC(C)C | 4 |
| 4hmk_ligand_1_1.mol2 | 4hmk | 1 | -6.53 | CC(C)C | 4 |
| 3f3e_ligand_1_1.mol2 | 3f3e | 1 | -6.51 | C(C)(C)C | 4 |
| 3gjd_ligand_1_1.mol2 | 3gjd | 1 | -6.50 | CC(C)C | 4 |
| 4hod_ligand_1_1.mol2 | 4hod | 1 | -6.48 | CC(C)C | 4 |
| 1yt7_ligand_1_7.mol2 | 1yt7 | 1 | -6.46 | CC(C)(C)C | 5 |
6909 ,
691
