Common name
(S)-1-(4-chlorophenyl)propan-1-ol
IUPAC name
(S)-1-(4-chlorophenyl)propan-1-ol
SMILES
CC[C@H](O)c1ccc(cc1)Cl
Common name
(S)-1-(4-chlorophenyl)propan-1-ol
IUPAC name
(S)-1-(4-chlorophenyl)propan-1-ol
SMILES
CC[C@H](O)c1ccc(cc1)Cl
INCHI
InChI=1S/C9H11ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3/t9-/m0/s1
FORMULA
C9H11ClO
Common name
(S)-1-(4-chlorophenyl)propan-1-ol
IUPAC name
(S)-1-(4-chlorophenyl)propan-1-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 |
|---|---|---|---|---|
| FDBD03050 | cyproconazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3m67_ligand_2_7.mol2 | 3m67 | 0.868421 | -6.87 | [C@@H](O)(C)c1ccc(cc1)Cl | 10 |
| 4gv1_ligand_3_1.mol2 | 4gv1 | 0.825 | -6.02 | Clc1ccc(cc1)CCCO | 11 |
| 3gw5_ligand_2_1.mol2 | 3gw5 | 0.813953 | -7.07 | CC[C@@H](O)c1cccc(c1)Cl | 11 |
| 4ohk_ligand_2_7.mol2 | 4ohk | 0.736842 | -6.96 | CC[C@@H](O)c1ccccc1 | 10 |
| 2i40_ligand_2_12.mol2 | 2i40 | 0.731707 | -6.34 | c1(ccccc1Cl)[C@@H](C)O | 10 |
| 3m67_ligand_3_6.mol2 | 3m67 | 0.717391 | -6.78 | SC[C@@H](O)c1ccc(cc1)Cl | 11 |
| 3gw5_ligand_1_0.mol2 | 3gw5 | 0.714286 | -6.90 | [C@H](O)(c1cccc(c1)Cl)C | 10 |
| 3bla_ligand_2_0.mol2 | 3bla | 0.714286 | -6.66 | O[C@H](c1cc(ccc1)Cl)C | 10 |
371 ,
38
