MMsINC Database Search


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MMsINC code: MMs03545636

Type: Neutral
Formula: C₁₂H₈Cl₂O

SMILES:

Clc1cc(Cl)c(O)cc1-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1757 kcal/mol

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

Topological Properties
Globularity: 0.0522726	Sterimol/B1: 2.66181	Sterimol/B2: 3.08599	Sterimol/B3: 3.49775
Sterimol/B4: 4.9129	Sterimol/L: 13.3283

Surface and Volume Properties
Accessible surface: 417.586	Positive charged surface: 169.877	Negative charged surface: 243.736	Volume: 206.625
Hydrophobic surface: 370.848	Hydrophilic surface: 46.738

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.