MMsINC Database Search


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MMsINC code: MMs03539345

Type: Neutral
Formula: C₁₂H₆Cl₄O

SMILES:

Clc1cc(Cl)cc(Cl)c1Oc1ccc(Cl)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.656 kcal/mol

Physical Properties
Molecular Weight: 307.991 g/mol	logS: -6.10475	SlogP: 6.0925	Reactive groups: 0

Topological Properties
Globularity: 0.160029	Sterimol/B1: 2.56036	Sterimol/B2: 4.74276	Sterimol/B3: 4.75576
Sterimol/B4: 5.31885	Sterimol/L: 14.1146

Surface and Volume Properties
Accessible surface: 468.129	Positive charged surface: 124.34	Negative charged surface: 343.789	Volume: 238.75
Hydrophobic surface: 468.129	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.