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 |
|---|---|---|---|---|---|
| 4jg8_ligand_1_2.mol2 | 4jg8 | 1 | -5.74 | C(O)C(C)C | 5 |
| 1ndy_ligand_2_4.mol2 | 1ndy | 1 | -5.73 | C(CO)C | 4 |
| 3fhe_ligand_3_64.mol2 | 3fhe | 1 | -5.73 | CCCO | 4 |
| 4i9z_ligand_2_22.mol2 | 4i9z | 1 | -5.73 | OCCC | 4 |
| 4wf2_ligand_3_145.mol2 | 4wf2 | 1 | -5.73 | CCCO | 4 |
| 1ndw_ligand_2_4.mol2 | 1ndw | 1 | -5.72 | C(O)CC | 4 |
| 2vj6_ligand_2_38.mol2 | 2vj6 | 1 | -5.72 | C(C)CO | 4 |
| 3mo5_ligand_3_577.mol2 | 3mo5 | 1 | -5.72 | CCCO | 4 |
967 ,
97
