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MMsINC code: MMs02375464

Type: Neutral
Formula: C₁₄H₉Cl₃O₃

SMILES:

Clc1cc(Cl)cc(Cl)c1OC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C14H9Cl3O3/c1-19-10-4-2-8(3-5-10)14(18)20-13-11(16)6-9(15)7-12(13)17/h2-7H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2821 kcal/mol

Physical Properties
Molecular Weight: 331.582 g/mol	logS: -5.75219	SlogP: 4.8746	Reactive groups: 0

Topological Properties
Globularity: 0.0695498	Sterimol/B1: 2.28492	Sterimol/B2: 4.74922	Sterimol/B3: 4.74973
Sterimol/B4: 5.0428	Sterimol/L: 17.3766

Surface and Volume Properties
Accessible surface: 525.589	Positive charged surface: 215.525	Negative charged surface: 310.064	Volume: 266.375
Hydrophobic surface: 493.185	Hydrophilic surface: 32.404

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.