MMsINC Database Search


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MMsINC code: MMs02356683

Type: Neutral
Formula: C₁₅H₂₂O₆

SMILES:

O1c2cc(OCCOCCOCCOCC)ccc2OC1

InChI:

InChI=1/C15H22O6/c1-2-16-5-6-17-7-8-18-9-10-19-13-3-4-14-15(11-13)21-12-20-14/h3-4,11H,2,5-10,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4268 kcal/mol

Physical Properties
Molecular Weight: 298.335 g/mol	logS: -2.14549	SlogP: 1.8638	Reactive groups: 0

Topological Properties
Globularity: 0.10301	Sterimol/B1: 2.37389	Sterimol/B2: 2.66222	Sterimol/B3: 5.71763
Sterimol/B4: 6.72442	Sterimol/L: 18.5569

Surface and Volume Properties
Accessible surface: 616.307	Positive charged surface: 496.809	Negative charged surface: 119.498	Volume: 290.25
Hydrophobic surface: 521.149	Hydrophilic surface: 95.158

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.