MMsINC Database Search


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MMsINC code: MMs02892838

Type: Neutral
Formula: C₁₂H₈Cl₂O

SMILES:

Clc1ccc(Cl)cc1-c1cc(O)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2003 kcal/mol

Physical Properties
Molecular Weight: 239.101 g/mol	logS: -4.91789	SlogP: 4.366	Reactive groups: 0

Topological Properties
Globularity: 0.0569306	Sterimol/B1: 2.61251	Sterimol/B2: 2.68906	Sterimol/B3: 3.69092
Sterimol/B4: 5.96016	Sterimol/L: 12.0956

Surface and Volume Properties
Accessible surface: 422.159	Positive charged surface: 168.412	Negative charged surface: 249.556	Volume: 207.875
Hydrophobic surface: 370.728	Hydrophilic surface: 51.431

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

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Ions/Tautomers related molecules: no related molecules available.