MMsINC Database Search


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MMsINC code: MMs03363786

Type: Neutral
Formula: C₁₃H₇Cl₅O₂

SMILES:

Clc1cc(Cl)cc(Cl)c1Oc1cc(Cl)c(OC)c(Cl)c1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6097 kcal/mol

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

Topological Properties
Globularity: 0.109724	Sterimol/B1: 3.09826	Sterimol/B2: 4.13267	Sterimol/B3: 4.83208
Sterimol/B4: 5.49466	Sterimol/L: 14.82

Surface and Volume Properties
Accessible surface: 530.06	Positive charged surface: 163.687	Negative charged surface: 366.373	Volume: 278.75
Hydrophobic surface: 521.564	Hydrophilic surface: 8.496

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.