MMsINC Database Search


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MMsINC code: MMs02351480

Type: Neutral
Formula: C₁₃H₆Cl₄O

SMILES:

Clc1cc(Cl)cc2c1-c1c(cc(Cl)cc1Cl)C2O

InChI:

InChI=1/C13H6Cl4O/c14-5-1-7-11(9(16)3-5)12-8(13(7)18)2-6(15)4-10(12)17/h1-4,13,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.947 kcal/mol

Physical Properties
Molecular Weight: 320.002 g/mol	logS: -6.64184	SlogP: 5.4578	Reactive groups: 0

Topological Properties
Globularity: 0.0197491	Sterimol/B1: 2.47034	Sterimol/B2: 2.84291	Sterimol/B3: 3.36559
Sterimol/B4: 6.39741	Sterimol/L: 14.4261

Surface and Volume Properties
Accessible surface: 448.771	Positive charged surface: 130.104	Negative charged surface: 306.943	Volume: 238.25
Hydrophobic surface: 405.375	Hydrophilic surface: 43.396

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.