MMsINC Database Search


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MMsINC code: MMs03409160

Type: Neutral
Formula: C₁₄H₂₀Cl₂O₄

SMILES:

Clc1cc(Cl)ccc1OC(OCCOCCOCC)C

InChI:

InChI=1/C14H20Cl2O4/c1-3-17-6-7-18-8-9-19-11(2)20-14-5-4-12(15)10-13(14)16/h4-5,10-11H,3,6-9H2,1-2H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9998 kcal/mol

Physical Properties
Molecular Weight: 323.216 g/mol	logS: -3.86691	SlogP: 3.7879	Reactive groups: 0

Topological Properties
Globularity: 0.13019	Sterimol/B1: 2.13724	Sterimol/B2: 4.71699	Sterimol/B3: 6.02307
Sterimol/B4: 6.62738	Sterimol/L: 15.7333

Surface and Volume Properties
Accessible surface: 611.603	Positive charged surface: 377.697	Negative charged surface: 233.907	Volume: 293.875
Hydrophobic surface: 547.559	Hydrophilic surface: 64.044

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.