MMsINC Database Search


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MMsINC code: MMs03086122

Type: Neutral
Formula: C₂₂H₁₇ClN₂

SMILES:

Clc1ccccc1C(n1nccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=169.172 kcal/mol

Physical Properties
Molecular Weight: 344.845 g/mol	logS: -5.75292	SlogP: 5.6882	Reactive groups: 0

Topological Properties
Globularity: 0.764372	Sterimol/B1: 2.71126	Sterimol/B2: 3.78511	Sterimol/B3: 7.50638
Sterimol/B4: 9.23039	Sterimol/L: 11.4359

Surface and Volume Properties
Accessible surface: 538.896	Positive charged surface: 311.986	Negative charged surface: 226.909	Volume: 330.5
Hydrophobic surface: 530.936	Hydrophilic surface: 7.9599999999999

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.