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MMsINC code: MMs03075552

Type: Neutral
Formula: C₂₀H₂₂Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)c2cc(Cl)c(OCC)cc2)ccc1N1CCCCC1

InChI:

InChI=1/C20H22Cl2N2O2/c1-2-26-19-9-6-14(12-17(19)22)20(25)23-15-7-8-18(16(21)13-15)24-10-4-3-5-11-24/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.054 kcal/mol

Physical Properties
Molecular Weight: 393.314 g/mol	logS: -5.8826	SlogP: 5.6347	Reactive groups: 0

Topological Properties
Globularity: 0.0223923	Sterimol/B1: 3.43147	Sterimol/B2: 3.64813	Sterimol/B3: 4.40996
Sterimol/B4: 5.15106	Sterimol/L: 21.6547

Surface and Volume Properties
Accessible surface: 659.914	Positive charged surface: 387.055	Negative charged surface: 272.859	Volume: 357.375
Hydrophobic surface: 586.874	Hydrophilic surface: 73.04

Pharmacophoric Properties
Hydrogen bond donors: 1	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.