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MMsINC code: MMs01616011

Type: Neutral
Formula: C₂₂H₂₀ClNO₂

SMILES:

Clc1ccccc1CN(C(=O)COc1ccccc1-c1ccccc1)C

InChI:

InChI=1/C22H20ClNO2/c1-24(15-18-11-5-7-13-20(18)23)22(25)16-26-21-14-8-6-12-19(21)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.668 kcal/mol

Physical Properties
Molecular Weight: 365.86 g/mol	logS: -6.43041	SlogP: 5.3108	Reactive groups: 0

Topological Properties
Globularity: 0.11616	Sterimol/B1: 3.04495	Sterimol/B2: 3.35234	Sterimol/B3: 5.53493
Sterimol/B4: 8.70267	Sterimol/L: 15.5499

Surface and Volume Properties
Accessible surface: 633.458	Positive charged surface: 345.854	Negative charged surface: 282.444	Volume: 357.625
Hydrophobic surface: 604.737	Hydrophilic surface: 28.721

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

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Ions/Tautomers related molecules: no related molecules available.