Common name
propan-2-ol
IUPAC name
propan-2-ol
SMILES
CC(O)C
Common name
propan-2-ol
IUPAC name
propan-2-ol
SMILES
CC(O)C
INCHI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
FORMULA
C3H8O
Common name
propan-2-ol
IUPAC name
propan-2-ol
Molecular weight
60.095
clogP
-0.132
clogS
0.047
Frequency
0.0278
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02908 | isofetamid |
|
Fungicide | Fungicide |
| FDBD02924 | valifenalate |
|
Fungicide | Fungicide |
| FDBD02943 | flutolanil |
|
Fungicide | Fungicide |
| FDBD02945 | mepronil |
|
Fungicide | Fungicide |
| FDBD02966 | iprovalicarb |
|
Fungicide | Fungicide |
| FDBD02967 | aureofungin |
|
Fungicide | Fungicide |
| FDBD03041 | diethofencarb |
|
Fungicide | Fungicide |
| FDBD03063 | hexaconazole |
|
Fungicide | Fungicide |
| FDBD03067 | mefentrifluconazole |
|
Fungicide | Fungicide |
| FDBD03072 | prothioconazole |
|
Fungicide | Fungicide |
81 ,
9
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gt3_ligand_frag_4.mol2 | 1gt3 | 1 | -6.36 | CC(O)(C)C | 5 |
| 1rjk_ligand_frag_4.mol2 | 1rjk | 1 | -6.36 | CC(O)(C)C | 5 |
| 2o4j_ligand_1_0.mol2 | 2o4j | 1 | -6.35 | CC(O)(C)C | 5 |
| 2o4r_ligand_frag_3.mol2 | 2o4r | 1 | -6.35 | CC(O)(C)C | 5 |
| 1ie9_ligand_frag_4.mol2 | 1ie9 | 1 | -6.29 | CC(O)(C)C | 5 |
| 1db1_ligand_frag_4.mol2 | 1db1 | 1 | -6.27 | CC(O)(C)C | 5 |
503 ,
51
