MMsINC Database Search


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MMsINC code: MMs03482595

Type: Neutral
Formula: C₁₃H₈Cl₄O₂

SMILES:

Clc1c(Oc2ccccc2)c(OC)c(Cl)c(Cl)c1Cl

InChI:

InChI=1/C13H8Cl4O2/c1-18-12-10(16)8(14)9(15)11(17)13(12)19-7-5-3-2-4-6-7/h2-6H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.3623 kcal/mol

Physical Properties
Molecular Weight: 338.017 g/mol	logS: -6.15513	SlogP: 6.1011	Reactive groups: 0

Topological Properties
Globularity: 0.167013	Sterimol/B1: 2.38764	Sterimol/B2: 4.0132	Sterimol/B3: 4.30977
Sterimol/B4: 8.43623	Sterimol/L: 12.9835

Surface and Volume Properties
Accessible surface: 496.841	Positive charged surface: 193.762	Negative charged surface: 303.079	Volume: 263.125
Hydrophobic surface: 490.797	Hydrophilic surface: 6.044

Pharmacophoric Properties
Hydrogen bond donors: 0	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.