MMsINC Database Search


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MMsINC code: MMs00015783

Type: Neutral
Formula: C₂₀H₂₄O₆

SMILES:

O1CCOc2c(OCCOCCOc3c(OCC1)cccc3)cccc2

InChI:

InChI=1/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.725 kcal/mol

Physical Properties
Molecular Weight: 360.406 g/mol	logS: -3.81486	SlogP: 2.9488	Reactive groups: 0

Topological Properties
Globularity: 0.0296405	Sterimol/B1: 2.21289	Sterimol/B2: 3.54697	Sterimol/B3: 4.98536
Sterimol/B4: 6.54486	Sterimol/L: 17.0812

Surface and Volume Properties
Accessible surface: 616.706	Positive charged surface: 458.216	Negative charged surface: 158.49	Volume: 345.875
Hydrophobic surface: 592.918	Hydrophilic surface: 23.788

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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.