MMsINC Database Search


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MMsINC code: MMs03544916

Type: Neutral
Formula: C₁₂H₈Cl₂O

SMILES:

Clc1cccc(Cl)c1Oc1ccccc1

InChI:

InChI=1/C12H8Cl2O/c13-10-7-4-8-11(14)12(10)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)=54.558 kcal/mol

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

Topological Properties
Globularity: 0.165696	Sterimol/B1: 3.13869	Sterimol/B2: 4.63488	Sterimol/B3: 4.7303
Sterimol/B4: 4.85738	Sterimol/L: 12.0967

Surface and Volume Properties
Accessible surface: 416.758	Positive charged surface: 162.264	Negative charged surface: 254.494	Volume: 210.5
Hydrophobic surface: 416.758	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.