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MMsINC code: MMs01736664

Type: Neutral
Formula: C₁₅H₁₂Cl₂O₃

SMILES:

Clc1cc(Cl)ccc1OCc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C15H12Cl2O3/c1-19-15(18)11-4-2-10(3-5-11)9-20-14-7-6-12(16)8-13(14)17/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1917 kcal/mol

Physical Properties
Molecular Weight: 311.164 g/mol	logS: -5.05347	SlogP: 4.6254	Reactive groups: 0

Topological Properties
Globularity: 0.0526161	Sterimol/B1: 3.13752	Sterimol/B2: 3.82416	Sterimol/B3: 4.09739
Sterimol/B4: 4.27078	Sterimol/L: 18.3717

Surface and Volume Properties
Accessible surface: 542.896	Positive charged surface: 265.525	Negative charged surface: 277.371	Volume: 271.125
Hydrophobic surface: 498.068	Hydrophilic surface: 44.828

Pharmacophoric Properties
Hydrogen bond donors: 0	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.