MMsINC Database Search


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MMsINC code: MMs03451926

Type: Neutral
Formula: C₁₂H₈Cl₂O

SMILES:

Clc1c(Oc2ccccc2)cccc1Cl

InChI:

InChI=1/C12H8Cl2O/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.5838 kcal/mol

Physical Properties
Molecular Weight: 239.101 g/mol	logS: -4.63617	SlogP: 4.7857	Reactive groups: 0

Topological Properties
Globularity: 0.104463	Sterimol/B1: 3.11058	Sterimol/B2: 3.3993	Sterimol/B3: 3.48361
Sterimol/B4: 5.16246	Sterimol/L: 13.2718

Surface and Volume Properties
Accessible surface: 420.031	Positive charged surface: 171.789	Negative charged surface: 248.242	Volume: 207.75
Hydrophobic surface: 420.031	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.