Common name
(1S)-1-(1-chlorocyclopropyl)ethanol
IUPAC name
(1S)-1-(1-chlorocyclopropyl)ethanol
SMILES
C1(CC1)(Cl)[C@H](C)O
Common name
(1S)-1-(1-chlorocyclopropyl)ethanol
IUPAC name
(1S)-1-(1-chlorocyclopropyl)ethanol
SMILES
C1(CC1)(Cl)[C@H](C)O
INCHI
InChI=1S/C5H9ClO/c1-4(7)5(6)2-3-5/h4,7H,2-3H2,1H3/t4-/m0/s1
FORMULA
C5H9ClO
Common name
(1S)-1-(1-chlorocyclopropyl)ethanol
IUPAC name
(1S)-1-(1-chlorocyclopropyl)ethanol
Molecular weight
120.577
clogP
1.651
clogS
-1.127
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03072 | prothioconazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h37_ligand_3_88.mol2 | 1h37 | 0.6 | -6.03 | C[C@@H]1[C@H](C1)CO | 6 |
| 4b5d_ligand_2_0.mol2 | 4b5d | 0.6 | -5.88 | C(CO)C1CC1 | 6 |
| 3e8n_ligand_2_25.mol2 | 3e8n | 0.6 | -5.63 | C(O)CC1CC1 | 6 |
| 1gt3_ligand_2_5.mol2 | 1gt3 | 0.571429 | -6.76 | C(C(O)(C)C)CC | 7 |
| 1rjk_ligand_2_5.mol2 | 1rjk | 0.571429 | -6.66 | CCCC(O)(C)C | 7 |
| 2o4j_ligand_3_0.mol2 | 2o4j | 0.571429 | -6.65 | CCCC(O)(C)C | 7 |
| 2o4r_ligand_2_2.mol2 | 2o4r | 0.571429 | -6.65 | C(C(O)(C)C)CC | 7 |
| 1db1_ligand_2_5.mol2 | 1db1 | 0.571429 | -6.54 | C(C(O)(C)C)CC | 7 |
| 1v7a_ligand_3_10.mol2 | 1v7a | 0.571429 | -6.39 | C(CC)[C@@H](O)C | 6 |
310 ,
32
