MMsINC Database Search


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MMsINC code: MMs03482637

Type: Neutral
Formula: C₁₃H₇Cl₅O₂

SMILES:

Clc1cc(Cl)cc(Oc2c(Cl)cc(Cl)cc2Cl)c1OC

InChI:

InChI=1/C13H7Cl5O2/c1-19-13-10(18)4-7(15)5-11(13)20-12-8(16)2-6(14)3-9(12)17/h2-5H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1955 kcal/mol

Physical Properties
Molecular Weight: 372.462 g/mol	logS: -6.88942	SlogP: 6.7545	Reactive groups: 0

Topological Properties
Globularity: 0.141958	Sterimol/B1: 2.38369	Sterimol/B2: 4.22273	Sterimol/B3: 4.93198
Sterimol/B4: 8.19406	Sterimol/L: 14.6232

Surface and Volume Properties
Accessible surface: 523.936	Positive charged surface: 155.655	Negative charged surface: 368.281	Volume: 279.125
Hydrophobic surface: 514.426	Hydrophilic surface: 9.51

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.