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MMsINC code: MMs00989196

Type: Neutral
Formula: C₁₉H₂₂ClNO₂

SMILES:

Clc1ccc(cc1)C(O)(CCN1CCOCC1)c1ccccc1

InChI:

InChI=1/C19H22ClNO2/c20-18-8-6-17(7-9-18)19(22,16-4-2-1-3-5-16)10-11-21-12-14-23-15-13-21/h1-9,22H,10-15H2/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5778 kcal/mol

Physical Properties
Molecular Weight: 331.843 g/mol	logS: -4.04923	SlogP: 3.6097	Reactive groups: 0

Topological Properties
Globularity: 0.187103	Sterimol/B1: 2.44723	Sterimol/B2: 3.03087	Sterimol/B3: 5.13875
Sterimol/B4: 9.24572	Sterimol/L: 15.197

Surface and Volume Properties
Accessible surface: 570.669	Positive charged surface: 354.844	Negative charged surface: 215.825	Volume: 322.5
Hydrophobic surface: 528.008	Hydrophilic surface: 42.661

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00989197
CHEMDIV-ZINC05100402