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 |
|---|---|---|---|---|
| FDBD02739 | methometon |
|
Herbicide | Herbicide |
| FDBD02740 | prometon |
|
Herbicide | Herbicide |
| FDBD02744 | ametryn |
|
Herbicide | Herbicide |
| FDBD02745 | aziprotryne |
|
Herbicide | Herbicide |
| FDBD02746 | desmetryn |
|
Herbicide | Herbicide |
| FDBD02747 | dimethametryn |
|
Herbicide | Herbicide |
| FDBD02748 | methoprotryne |
|
Herbicide | Herbicide |
| FDBD02749 | prometryn |
|
Herbicide | Herbicide |
| FDBD02756 | isomethiozin |
|
Herbicide | Herbicide |
| FDBD02762 | propoxycarbazone |
|
Herbicide | Herbicide |
702 ,
71
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2cej_ligand_1_8.mol2 | 2cej | 1 | -6.44 | CC(C)(C)C | 5 |
| 2cen_ligand_1_9.mol2 | 2cen | 1 | -6.43 | CC(C)(C)C | 5 |
| 2wkz_ligand_1_12.mol2 | 2wkz | 1 | -6.43 | CC(C)(C)C | 5 |
| 2wl0_ligand_1_12.mol2 | 2wl0 | 1 | -6.43 | CC(C)(C)C | 5 |
| 2cem_ligand_1_9.mol2 | 2cem | 1 | -6.42 | C(C)(C)(C)C | 5 |
| 2uy0_ligand_1_6.mol2 | 2uy0 | 1 | -6.42 | CC(C)(C)C | 5 |
| 2o4k_ligand_1_1.mol2 | 2o4k | 1 | -6.41 | C(C)(C)(C)C | 5 |
| 2o4k_ligand_1_12.mol2 | 2o4k | 1 | -6.40 | CC(C)(C)C | 5 |
| 3ekw_ligand_1_1.mol2 | 3ekw | 1 | -6.40 | C(C)(C)(C)C | 5 |
| 3eky_ligand_1_1.mol2 | 3eky | 1 | -6.40 | CC(C)(C)C | 5 |
6909 ,
691
