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MMsINC code: MMs02694746

Type: Neutral
Formula: C₁₅H₁₂Cl₂O₃

SMILES:

Clc1cc(Cl)ccc1OC(=O)COc1ccc(cc1)C

InChI:

InChI=1/C15H12Cl2O3/c1-10-2-5-12(6-3-10)19-9-15(18)20-14-7-4-11(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)=73.3374 kcal/mol

Physical Properties
Molecular Weight: 311.164 g/mol	logS: -5.51826	SlogP: 4.28622	Reactive groups: 0

Topological Properties
Globularity: 0.0442363	Sterimol/B1: 3.15976	Sterimol/B2: 3.5446	Sterimol/B3: 4.01349
Sterimol/B4: 4.62404	Sterimol/L: 18.3796

Surface and Volume Properties
Accessible surface: 543.883	Positive charged surface: 240.478	Negative charged surface: 303.404	Volume: 270.25
Hydrophobic surface: 503.067	Hydrophilic surface: 40.816

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.