Common name
1-methylcyclopentanol
IUPAC name
1-methylcyclopentanol
SMILES
CC1(CCCC1)O
Common name
1-methylcyclopentanol
IUPAC name
1-methylcyclopentanol
SMILES
CC1(CCCC1)O
INCHI
InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3
FORMULA
C6H12O
Common name
1-methylcyclopentanol
IUPAC name
1-methylcyclopentanol
Molecular weight
100.159
clogP
1.677
clogS
-0.990
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00833 | Cyclopentolate |
|
Muscarinic Antagonists; Parasympatholytics; Mydriatics; Ophthalmologicals; Sensory Organs; Anticholinergics; Mydriatics and Cycloplegics; | Used mainly to produce mydriasis and cycloplegia for diagnostic purposes. |
| FDBD03065 | ipconazole |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bpy_ligand_frag_10.mol2 | 2bpy | 1 | -6.35 | C1[C@@H](CC[C@@H]1C)O | 7 |
| 2bpv_ligand_frag_9.mol2 | 2bpv | 1 | -6.27 | C1[C@@H](CC[C@@H]1C)O | 7 |
| 3gzn_ligand_1_1.mol2 | 3gzn | 0.916667 | -6.52 | C1C[C@H]([C@H](C1)O)C | 7 |
| 1ym4_ligand_1_3.mol2 | 1ym4 | 0.916667 | -6.05 | C1(CCCC1)CO | 7 |
| 2p4j_ligand_4_1334.mol2 | 2p4j | 0.909091 | -6.77 | C(C(C)C)C[C@H](C)O | 8 |
| 2g94_ligand_4_2730.mol2 | 2g94 | 0.909091 | -6.64 | C(C)(C)CC[C@H](C)O | 8 |
240 ,
25
