Common name
propane
IUPAC name
propane
SMILES
C(C)C
Common name
propane
IUPAC name
propane
SMILES
C(C)C
INCHI
InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
FORMULA
C3H8
Common name
propane
IUPAC name
propane
Molecular weight
44.096
clogP
0.450
clogS
-0.824
Frequency
0.2412
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 |
|---|---|---|---|---|
| FDBD02768 | isocil |
|
Herbicide | Herbicide |
| FDBD02771 | cumyluron |
|
Herbicide | Herbicide |
| FDBD02783 | daimuron |
|
Herbicide | Herbicide |
| FDBD02789 | isoproturon |
|
Herbicide | Herbicide |
| FDBD02797 | neburon |
|
Herbicide | Herbicide |
| FDBD02820 | propyrisulfuron |
|
Herbicide | Herbicide |
| FDBD02838 | buthiuron |
|
Herbicide | Herbicide |
| FDBD02846 | bentazone |
|
Herbicide | Herbicide |
| FDBD02856 | cinmethylin |
|
Herbicide | Herbicide |
| FDBD02862 | dimepiperate |
|
Herbicide | Herbicide |
702 ,
71
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4cpt_ligand_1_8.mol2 | 4cpt | 1 | -6.34 | CC(C)(C)C | 5 |
| 4dus_ligand_1_1.mol2 | 4dus | 1 | -6.34 | CC(C)(C)C | 5 |
| 4fxz_ligand_1_1.mol2 | 4fxz | 1 | -6.34 | CC(C)C | 4 |
| 1dmt_ligand_1_5.mol2 | 1dmt | 1 | -6.33 | CC(C)C | 4 |
6909 ,
691
