Common name
(1R)-1-cyclohexylpropan-1-ol
IUPAC name
(1R)-1-cyclohexylpropan-1-ol
SMILES
C(C)C(C1CCCCC1)O
Common name
(1R)-1-cyclohexylpropan-1-ol
IUPAC name
(1R)-1-cyclohexylpropan-1-ol
SMILES
C(C)C(C1CCCCC1)O
INCHI
InChI=1S/C9H18O/c1-2-9(10)8-6-4-3-5-7-8/h8-10H,2-7H2,1H3/t9-/m1/s1
FORMULA
C9H18O
Common name
(1R)-1-cyclohexylpropan-1-ol
IUPAC name
(1R)-1-cyclohexylpropan-1-ol
Molecular weight
142.239
clogP
2.282
clogS
-1.557
Frequency
0.0007
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 |
|---|---|---|---|---|
| FDBD00258 | Trihexyphenidyl |
|
Antiparkinson Agents; Muscarinic Antagonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Anticholinergics; Tertiary Amines; | Indicated for the treatment of parkinson's disease and extrapyramidal reactions caused by drugs. |
| FDBD00267 | Procyclidine |
|
Antiparkinson Agents; Muscarinic Antagonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Anticholinergics; Tertiary Amines; | For the treatment of all forms of Parkinson's Disease, as well as control of extrapyramidal reactions induced by antipsychotic agents. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zmj_ligand_3_17.mol2 | 2zmj | 1 | -8.31 | C1[C@H]2C[C@H]3C[C@@]1(C[C@H](C3)C2)C[C@@H](C)O | 14 |
| 2zmj_ligand_2_13.mol2 | 2zmj | 1 | -7.94 | C1[C@H]2C[C@H]3C[C@@]1(C[C@H](C3)C2)CCO | 13 |
| 4mm7_ligand_2_0.mol2 | 4mm7 | 1 | -7.38 | C(C1(CCCCC1)O)C | 9 |
| 1fq4_ligand_4_1490.mol2 | 1fq4 | 1 | -7.24 | [C@@H](O)(C)CCC1CCCCC1 | 11 |
| 1fq7_ligand_4_2990.mol2 | 1fq7 | 1 | -7.23 | C(C[C@@H](O)C)C1CCCCC1 | 11 |
| 4mm7_ligand_1_0.mol2 | 4mm7 | 1 | -7.18 | CC1(CCCCC1)O | 8 |
| 5all_ligand_1_1.mol2 | 5all | 1 | -7.09 | C(O)[C@@H]1C[C@@H](CCC1)C | 9 |
174 ,
18
