MMsINC Database Search


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MMsINC code: MMs03538310

Type: Neutral
Formula: C₁₂H₆Cl₄O

SMILES:

Clc1c(O)c(ccc1Cl)-c1cc(Cl)c(Cl)cc1

InChI:

InChI=1/C12H6Cl4O/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)11(16)12(7)17/h1-5,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7614 kcal/mol

Physical Properties
Molecular Weight: 307.991 g/mol	logS: -6.38647	SlogP: 5.6728	Reactive groups: 0

Topological Properties
Globularity: 0.0563984	Sterimol/B1: 2.43428	Sterimol/B2: 2.48019	Sterimol/B3: 3.77629
Sterimol/B4: 5.55699	Sterimol/L: 14.5835

Surface and Volume Properties
Accessible surface: 459.766	Positive charged surface: 128.641	Negative charged surface: 325.837	Volume: 236.25
Hydrophobic surface: 428.734	Hydrophilic surface: 31.032

Pharmacophoric Properties
Hydrogen bond donors: 1	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.