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 |
|---|---|---|---|---|
| FDBD03165 | tridemorph |
|
Fungicide | Fungicide |
| FDBD03172 | iprobenfos |
|
Fungicide | Fungicide |
| FDBD03173 | izopamfos |
|
Fungicide | Fungicide |
| FDBD03179 | decafentin |
|
Fungicide | Fungicide |
| FDBD03187 | fenpyrazamine |
|
Fungicide | Fungicide |
| FDBD03188 | pydiflumetofen |
|
Fungicide | Fungicide |
| FDBD03189 | buthiobate |
|
Fungicide | Fungicide |
| FDBD03196 | bupirimate |
|
Fungicide | Fungicide |
| FDBD03197 | diflumetorim |
|
Fungicide | Fungicide |
| FDBD03198 | dimethirimol |
|
Fungicide | Fungicide |
702 ,
71
| 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
