MMsINC Database Search


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MMsINC code: MMs02672893

Type: Neutral
Formula: C₁₃H₆Cl₄O₂

SMILES:

Clc1cccc(Cl)c1C(=O)c1cc(Cl)c(O)c(Cl)c1

InChI:

InChI=1/C13H6Cl4O2/c14-7-2-1-3-8(15)11(7)12(18)6-4-9(16)13(19)10(17)5-6/h1-5,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7901 kcal/mol

Physical Properties
Molecular Weight: 336.001 g/mol	logS: -6.0329	SlogP: 5.2368	Reactive groups: 0

Topological Properties
Globularity: 0.135886	Sterimol/B1: 4.47151	Sterimol/B2: 4.66944	Sterimol/B3: 4.75872
Sterimol/B4: 5.04779	Sterimol/L: 13.3505

Surface and Volume Properties
Accessible surface: 484.504	Positive charged surface: 133.039	Negative charged surface: 351.465	Volume: 256.75
Hydrophobic surface: 417.729	Hydrophilic surface: 66.775

Pharmacophoric Properties
Hydrogen bond donors: 1	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.