MMsINC Database Search


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MMsINC code: MMs02856237

Type: Neutral
Formula: C₉H₆Cl₂O₂

SMILES:

Clc1cc2OC(=COc2cc1Cl)C

InChI:

InChI=1/C9H6Cl2O2/c1-5-4-12-8-2-6(10)7(11)3-9(8)13-5/h2-4H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.1185 kcal/mol

Physical Properties
Molecular Weight: 217.051 g/mol	logS: -4.08896	SlogP: 3.6259	Reactive groups: 0

Topological Properties
Globularity: 0.0151547	Sterimol/B1: 2.1676	Sterimol/B2: 2.44754	Sterimol/B3: 3.55266
Sterimol/B4: 4.42542	Sterimol/L: 11.9831

Surface and Volume Properties
Accessible surface: 377.414	Positive charged surface: 141.241	Negative charged surface: 236.173	Volume: 174
Hydrophobic surface: 377.414	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.