MMsINC Database Search


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MMsINC code: MMs01646189

Type: Neutral
Formula: C₁₅H₁₀Cl₄O₃

SMILES:

Clc1ccc(Cl)cc1C(OCCOc1ccc(Cl)cc1Cl)=O

InChI:

InChI=1/C15H10Cl4O3/c16-9-1-3-12(18)11(7-9)15(20)22-6-5-21-14-4-2-10(17)8-13(14)19/h1-4,7-8H,5-6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7102 kcal/mol

Physical Properties
Molecular Weight: 380.054 g/mol	logS: -6.54849	SlogP: 5.536	Reactive groups: 0

Topological Properties
Globularity: 0.0511768	Sterimol/B1: 2.42344	Sterimol/B2: 4.51286	Sterimol/B3: 5.40827
Sterimol/B4: 5.50199	Sterimol/L: 17.222

Surface and Volume Properties
Accessible surface: 587.585	Positive charged surface: 218.792	Negative charged surface: 368.793	Volume: 299.875
Hydrophobic surface: 559.695	Hydrophilic surface: 27.89

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

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Ions/Tautomers related molecules: no related molecules available.