MMsINC Database Search


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MMsINC code: MMs00019316

Type: Neutral
Formula: C₁₃H₁₀Cl₂O₂

SMILES:

Clc1cc(Cc2cc(Cl)ccc2O)c(O)cc1

InChI:

InChI=1/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.393 kcal/mol

Physical Properties
Molecular Weight: 269.127 g/mol	logS: -3.93249	SlogP: 3.99537	Reactive groups: 0

Topological Properties
Globularity: 0.156658	Sterimol/B1: 2.22048	Sterimol/B2: 4.5336	Sterimol/B3: 4.59813
Sterimol/B4: 4.72515	Sterimol/L: 11.7617

Surface and Volume Properties
Accessible surface: 451.134	Positive charged surface: 194.945	Negative charged surface: 256.189	Volume: 231.875
Hydrophobic surface: 385.731	Hydrophilic surface: 65.403

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.