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MMsINC code: MMs00705171

Type: Neutral
Formula: C₂₂H₁₉ClN₂O₂

SMILES:

Clc1cc(C(=O)c2ccccc2)c(NC(=O)CNCc2ccccc2)cc1

InChI:

InChI=1/C22H19ClN2O2/c23-18-11-12-20(19(13-18)22(27)17-9-5-2-6-10-17)25-21(26)15-24-14-16-7-3-1-4-8-16/h1-13,24H,14-15H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.94 kcal/mol

Physical Properties
Molecular Weight: 378.859 g/mol	logS: -5.92891	SlogP: 4.5657	Reactive groups: 0

Topological Properties
Globularity: 0.0814664	Sterimol/B1: 3.166	Sterimol/B2: 4.6857	Sterimol/B3: 6.19409
Sterimol/B4: 6.36652	Sterimol/L: 16.8834

Surface and Volume Properties
Accessible surface: 658.171	Positive charged surface: 341.936	Negative charged surface: 316.234	Volume: 360.625
Hydrophobic surface: 577.446	Hydrophilic surface: 80.725

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.