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MMsINC code: MMs01373657

Type: Neutral
Formula: C₁₉H₁₉Cl₂NO₂

SMILES:

Clc1cc(Cl)ccc1COc1ccccc1C(=O)NC1CCCC1

InChI:

InChI=1/C19H19Cl2NO2/c20-14-10-9-13(17(21)11-14)12-24-18-8-4-3-7-16(18)19(23)22-15-5-1-2-6-15/h3-4,7-11,15H,1-2,5-6,12H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9507 kcal/mol

Physical Properties
Molecular Weight: 364.272 g/mol	logS: -5.77379	SlogP: 5.5112	Reactive groups: 0

Topological Properties
Globularity: 0.0386308	Sterimol/B1: 2.55809	Sterimol/B2: 3.40286	Sterimol/B3: 3.58447
Sterimol/B4: 10.5996	Sterimol/L: 16.2596

Surface and Volume Properties
Accessible surface: 614.483	Positive charged surface: 314.138	Negative charged surface: 300.346	Volume: 334.25
Hydrophobic surface: 590.469	Hydrophilic surface: 24.014

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.