Common name
2-cyclopentylphenol
IUPAC name
2-cyclopentylphenol
SMILES
Oc1c(cccc1)C2CCCC2
Common name
2-cyclopentylphenol
IUPAC name
2-cyclopentylphenol
SMILES
Oc1c(cccc1)C2CCCC2
INCHI
InChI=1S/C11H14O/c12-11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2
FORMULA
C11H14O
Common name
2-cyclopentylphenol
IUPAC name
2-cyclopentylphenol
Molecular weight
162.228
clogP
2.956
clogS
-2.364
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01157 | Penbutolol |
|
Antihypertensive Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; | Penbutolol is indicated in the treatment of mild to moderate arterial hypertension. It may be used alone or in combination with other antihypertensive agents, especially thiazide-type diuretics.Penbutolol is contraindicated in patients with cardiogenic shock, sinus bradycardia, second and third degree atrioventricular conduction block, bronchial asthma, and those with known hypersensitivity. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rek_ligand_2_12.mol2 | 1rek | 0.810811 | -7.67 | C(C)[C@H](C)c1c(cccc1)O | 11 |
| 4i7m_ligand.mol2 | 4i7m | 0.810811 | -7.66 | c1(c(cccc1)O)CCC | 11 |
| 3acx_ligand_3_4.mol2 | 3acx | 0.810811 | -7.23 | CCCc1c(cccc1)O | 10 |
| 1iky_ligand_1_2.mol2 | 1iky | 0.789474 | -7.20 | C1CC1c1ccccc1O | 10 |
| 4mga_ligand.mol2 | 4mga | 0.769231 | -8.57 | CC(C)(C)CC(C)(C)c1ccc(O)cc1 | 16 |
| 2iog_ligand_3_0.mol2 | 2iog | 0.769231 | -7.59 | C(c1ccc(cc1)O)CCC | 11 |
| 2iok_ligand_3_0.mol2 | 2iok | 0.769231 | -7.38 | C(c1ccc(cc1)O)CCC | 11 |
| 3h0a_ligand_1_7.mol2 | 3h0a | 0.75 | -7.23 | c12CCCCc1cccc2O | 11 |
103 ,
11
