MMsINC Database Search


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MMsINC code: MMs00017299

Type: Neutral
Formula: C₂₀H₂₄O₆

SMILES:

O1CCOCCOc2c(OCCOc3c(OCC1)cccc3)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.143 kcal/mol

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

Topological Properties
Globularity: 0.0352927	Sterimol/B1: 2.83179	Sterimol/B2: 3.4995	Sterimol/B3: 3.63903
Sterimol/B4: 8.41721	Sterimol/L: 16.2856

Surface and Volume Properties
Accessible surface: 619.533	Positive charged surface: 455.853	Negative charged surface: 163.68	Volume: 349.75
Hydrophobic surface: 591.768	Hydrophilic surface: 27.765

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.