Common name
(2S)-1-(2-chlorophenyl)propan-2-ol
IUPAC name
(2S)-1-(2-chlorophenyl)propan-2-ol
SMILES
c1cc(c(cc1)Cl)C[C@@H](O)C
Common name
(2S)-1-(2-chlorophenyl)propan-2-ol
IUPAC name
(2S)-1-(2-chlorophenyl)propan-2-ol
SMILES
c1cc(c(cc1)Cl)C[C@@H](O)C
INCHI
InChI=1S/C9H11ClO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7,11H,6H2,1H3/t7-/m0/s1
FORMULA
C9H11ClO
Common name
(2S)-1-(2-chlorophenyl)propan-2-ol
IUPAC name
(2S)-1-(2-chlorophenyl)propan-2-ol
Molecular weight
170.636
clogP
2.805
clogS
-2.667
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03072 | prothioconazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gv1_ligand_3_1.mol2 | 4gv1 | 0.738095 | -6.02 | Clc1ccc(cc1)CCCO | 11 |
| 5bvd_ligand_2_10.mol2 | 5bvd | 0.714286 | -6.58 | c1(cc(ccc1)Cl)CCO | 10 |
| 5bve_ligand_2_5.mol2 | 5bve | 0.714286 | -6.58 | C(c1cc(ccc1)Cl)CO | 10 |
| 5bvf_ligand_2_9.mol2 | 5bvf | 0.714286 | -6.57 | C(O)Cc1cc(ccc1)Cl | 10 |
| 2cej_ligand_2_4.mol2 | 2cej | 0.710526 | -6.95 | C(c1ccccc1)[C@@H](C)O | 10 |
| 2uxz_ligand_2_2.mol2 | 2uxz | 0.710526 | -6.94 | c1(ccccc1)C[C@@H](C)O | 10 |
| 2wkz_ligand_2_15.mol2 | 2wkz | 0.710526 | -6.83 | c1(ccccc1)C[C@@H](C)O | 10 |
| 2uy0_ligand_2_61.mol2 | 2uy0 | 0.710526 | -6.80 | C(c1ccccc1)[C@@H](C)O | 10 |
| 2bqv_ligand_2_4.mol2 | 2bqv | 0.710526 | -6.78 | c1(ccccc1)C[C@@H](C)O | 10 |
| 2wl0_ligand_2_15.mol2 | 2wl0 | 0.710526 | -6.75 | c1(ccccc1)C[C@@H](C)O | 10 |
353 ,
36
