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MMsINC code: MMs01383685

Type: Neutral
Formula: C₁₅H₁₀Cl₄O₂

SMILES:

Clc1cccc(Cl)c1CC(OCc1ccc(Cl)cc1Cl)=O

InChI:

InChI=1/C15H10Cl4O2/c16-10-5-4-9(14(19)6-10)8-21-15(20)7-11-12(17)2-1-3-13(11)18/h1-6H,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.3806 kcal/mol

Physical Properties
Molecular Weight: 364.055 g/mol	logS: -6.53314	SlogP: 5.85247	Reactive groups: 1

Topological Properties
Globularity: 0.064829	Sterimol/B1: 4.41249	Sterimol/B2: 4.59317	Sterimol/B3: 4.74047
Sterimol/B4: 4.75016	Sterimol/L: 17.3951

Surface and Volume Properties
Accessible surface: 563.067	Positive charged surface: 189.111	Negative charged surface: 373.955	Volume: 292.125
Hydrophobic surface: 537.537	Hydrophilic surface: 25.53

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.