MMsINC Database Search


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MMsINC code: MMs03384566

Type: Neutral
Formula: C₁₂H₆Cl₄O₂

SMILES:

Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2O)c1O

InChI:

InChI=1/C12H6Cl4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1364 kcal/mol

Physical Properties
Molecular Weight: 323.99 g/mol	logS: -6.02452	SlogP: 5.3784	Reactive groups: 0

Topological Properties
Globularity: 0.137296	Sterimol/B1: 2.94266	Sterimol/B2: 3.40126	Sterimol/B3: 4.29744
Sterimol/B4: 5.39609	Sterimol/L: 12.1589

Surface and Volume Properties
Accessible surface: 479.911	Positive charged surface: 135.237	Negative charged surface: 343.824	Volume: 244.25
Hydrophobic surface: 417.342	Hydrophilic surface: 62.569

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.