MMsINC Database Search


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MMsINC code: MMs02328689

Type: Neutral
Formula: C₁₆H₁₀Cl₄O₆

SMILES:

Clc1cc(Cl)ccc1OC(OCCOC(Oc1ccc(Cl)cc1Cl)=O)=O

InChI:

InChI=1/C16H10Cl4O6/c17-9-1-3-13(11(19)7-9)25-15(21)23-5-6-24-16(22)26-14-4-2-10(18)8-12(14)20/h1-4,7-8H,5-6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.193 kcal/mol

Physical Properties
Molecular Weight: 440.062 g/mol	logS: -6.96234	SlogP: 6.0312	Reactive groups: 0

Topological Properties
Globularity: 0.0468058	Sterimol/B1: 2.9937	Sterimol/B2: 3.53946	Sterimol/B3: 4.60556
Sterimol/B4: 4.78453	Sterimol/L: 22.0599

Surface and Volume Properties
Accessible surface: 664.491	Positive charged surface: 243.252	Negative charged surface: 421.239	Volume: 337.375
Hydrophobic surface: 574.218	Hydrophilic surface: 90.273

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.