Common name
propan-1-ol
IUPAC name
propan-1-ol
SMILES
C(O)CC
Common name
propan-1-ol
IUPAC name
propan-1-ol
SMILES
C(O)CC
INCHI
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
FORMULA
C3H8O
Common name
propan-1-ol
IUPAC name
propan-1-ol
Molecular weight
60.095
clogP
0.038
clogS
-0.327
Frequency
0.0330
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03051 | diclobutrazol |
|
Fungicide | Fungicide |
| FDBD03063 | hexaconazole |
|
Fungicide | Fungicide |
| FDBD03076 | tetraconazole |
|
Fungicide | Fungicide |
| FDBD03173 | izopamfos |
|
Fungicide | Fungicide |
| FDBD03262 | propamidine |
|
Fungicide | Fungicide |
| FDBD03263 | proquinazid |
|
Fungicide | Fungicide |
96 ,
10
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cow_ligand_1_0.mol2 | 3cow | 1 | -6.56 | C(C)(C)(C)CO | 6 |
| 4fhi_ligand_1_8.mol2 | 4fhi | 1 | -6.55 | C(O)C(C)(C)C | 6 |
| 4fhh_ligand_1_8.mol2 | 4fhh | 1 | -6.49 | C(O)C(C)(C)C | 6 |
| 2flh_ligand_1_0.mol2 | 2flh | 1 | -6.11 | C(O)C(C)C | 5 |
| 3bex_ligand_1_1.mol2 | 3bex | 1 | -6.04 | C(C)(C)CO | 5 |
| 3bex_ligand_1_0.mol2 | 3bex | 1 | -6.03 | C(C)(C)CO | 5 |
| 3guz_ligand_1_1.mol2 | 3guz | 1 | -6.03 | C(O)C(C)C | 5 |
| 4rce_ligand_2_5.mol2 | 4rce | 1 | -6.01 | OCC(C)(C)C | 6 |
967 ,
97
