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MMsINC code: MMs00659509

Type: Neutral
Formula: C₂₂H₁₉ClN₂O₂

SMILES:

Clc1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.447 kcal/mol

Physical Properties
Molecular Weight: 378.859 g/mol	logS: -6.06466	SlogP: 4.56477	Reactive groups: 0

Topological Properties
Globularity: 0.0459451	Sterimol/B1: 3.59269	Sterimol/B2: 3.64194	Sterimol/B3: 4.20923
Sterimol/B4: 9.16376	Sterimol/L: 17.397

Surface and Volume Properties
Accessible surface: 659.708	Positive charged surface: 347.531	Negative charged surface: 312.177	Volume: 358.125
Hydrophobic surface: 606.197	Hydrophilic surface: 53.511

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

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Ions/Tautomers related molecules: no related molecules available.