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MMsINC code: MMs03102153

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1ccccc1C(=O)c1cc(Cl)ccc1N(C(=O)CNC1CC1)C

InChI:

InChI=1/C19H18Cl2N2O2/c1-23(18(24)11-22-13-7-8-13)17-9-6-12(20)10-15(17)19(25)14-4-2-3-5-16(14)21/h2-6,9-10,13,22H,7-8,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.921 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -5.34169	SlogP: 3.9392	Reactive groups: 0

Topological Properties
Globularity: 0.107858	Sterimol/B1: 2.3693	Sterimol/B2: 4.6415	Sterimol/B3: 6.11113
Sterimol/B4: 6.75471	Sterimol/L: 16.0839

Surface and Volume Properties
Accessible surface: 620.333	Positive charged surface: 323.668	Negative charged surface: 296.665	Volume: 343
Hydrophobic surface: 524.989	Hydrophilic surface: 95.344

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs03102154
PUBCHEM-ZINC04215365