MMsINC Database Search


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MMsINC code: MMs03538299

Type: Neutral
Formula: C₁₂H₆Cl₄O

SMILES:

Clc1cc(O)c(Cl)cc1-c1cc(Cl)c(Cl)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.5681 kcal/mol

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

Topological Properties
Globularity: 0.0542156	Sterimol/B1: 2.63333	Sterimol/B2: 3.47217	Sterimol/B3: 3.80012
Sterimol/B4: 5.57376	Sterimol/L: 13.9413

Surface and Volume Properties
Accessible surface: 462.102	Positive charged surface: 136.068	Negative charged surface: 321.842	Volume: 237
Hydrophobic surface: 417.04	Hydrophilic surface: 45.062

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.