MMsINC Database Search


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MMsINC code: MMs02213594

Type: Neutral
Formula: C₁₃H₁₀Cl₂O₂

SMILES:

Clc1cc(O)c(cc1)Cc1ccc(Cl)cc1O

InChI:

InChI=1/C13H10Cl2O2/c14-10-3-1-8(12(16)6-10)5-9-2-4-11(15)7-13(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)=45.2354 kcal/mol

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

Topological Properties
Globularity: 0.172607	Sterimol/B1: 2.74503	Sterimol/B2: 3.53428	Sterimol/B3: 4.09722
Sterimol/B4: 5.43238	Sterimol/L: 13.8927

Surface and Volume Properties
Accessible surface: 449.884	Positive charged surface: 198.615	Negative charged surface: 251.269	Volume: 228.875
Hydrophobic surface: 380.274	Hydrophilic surface: 69.61

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.