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 |
|---|---|---|---|---|
| FDBD02996 | fenjuntong |
|
Fungicide | Fungicide |
| FDBD03007 | albendazole |
|
Fungicide | Fungicide |
| FDBD03008 | benomyl |
|
Fungicide | Fungicide |
| FDBD03011 | cypendazole |
|
Fungicide | Fungicide |
| FDBD03026 | carvacrol |
|
Fungicide | Fungicide |
| FDBD03036 | iodocarb |
|
Fungicide | Fungicide |
| FDBD03038 | propamocarb |
|
Fungicide | Fungicide |
| FDBD03040 | tolprocarb |
|
Fungicide | Fungicide |
| FDBD03041 | diethofencarb |
|
Fungicide | Fungicide |
| FDBD03045 | oxpoconazole |
|
Fungicide | Fungicide |
702 ,
71
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xye_ligand_1_12.mol2 | 2xye | 1 | -6.37 | CC(C)(C)C | 5 |
| 2aqu_ligand_1_12.mol2 | 2aqu | 1 | -6.36 | CC(C)(C)C | 5 |
| 2aqu_ligand_1_1.mol2 | 2aqu | 1 | -6.36 | CC(C)(C)C | 5 |
| 3el1_ligand_1_1.mol2 | 3el1 | 1 | -6.36 | CC(C)(C)C | 5 |
| 4l50_ligand_1_5.mol2 | 4l50 | 1 | -6.36 | C(C)(C)C | 4 |
| 2xyf_ligand_1_13.mol2 | 2xyf | 1 | -6.35 | C(C)(C)(C)C | 5 |
| 3b3s_ligand_1_1.mol2 | 3b3s | 1 | -6.35 | CC(C)C | 4 |
| 3el9_ligand_1_12.mol2 | 3el9 | 1 | -6.35 | CC(C)(C)C | 5 |
6909 ,
691
