MMsINC Database Search


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MMsINC code: MMs02905653

Type: Neutral
Formula: C₁₂H₆Cl₄O

SMILES:

Clc1c(-c2ccc(O)cc2)c(Cl)c(Cl)cc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4565 kcal/mol

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

Topological Properties
Globularity: 0.0870254	Sterimol/B1: 2.16712	Sterimol/B2: 3.80777	Sterimol/B3: 3.94239
Sterimol/B4: 5.39983	Sterimol/L: 12.725

Surface and Volume Properties
Accessible surface: 454.793	Positive charged surface: 152.027	Negative charged surface: 301.923	Volume: 239
Hydrophobic surface: 402.859	Hydrophilic surface: 51.934

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.