MMsINC Database Search


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MMsINC code: MMs00053616

Type: Neutral
Formula: C₁₄H₈Cl₆O₂

SMILES:

Clc1cc(Cl)cc(Cl)c1OCCOc1c(Cl)cc(Cl)cc1Cl

InChI:

InChI=1/C14H8Cl6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.0848 kcal/mol

Physical Properties
Molecular Weight: 420.934 g/mol	logS: -7.68572	SlogP: 7.0648	Reactive groups: 0

Topological Properties
Globularity: 0.0722348	Sterimol/B1: 3.27256	Sterimol/B2: 3.62457	Sterimol/B3: 3.89302
Sterimol/B4: 5.42546	Sterimol/L: 18.3506

Surface and Volume Properties
Accessible surface: 583.431	Positive charged surface: 158.825	Negative charged surface: 424.606	Volume: 314.25
Hydrophobic surface: 583.014	Hydrophilic surface: 0.41700000000003

Pharmacophoric Properties
Hydrogen bond donors: 0	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.