MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00918186

Type: Neutral
Formula: C₂₀H₂₆O₆

SMILES:

O(CCOCCOCCOc1ccccc1OC)c1ccccc1OC

InChI:

InChI=1/C20H26O6/c1-21-17-7-3-5-9-19(17)25-15-13-23-11-12-24-14-16-26-20-10-6-4-8-18(20)22-2/h3-10H,11-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.32 kcal/mol

Physical Properties
Molecular Weight: 362.422 g/mol	logS: -3.66602	SlogP: 3.1948	Reactive groups: 0

Topological Properties
Globularity: 0.116581	Sterimol/B1: 2.37272	Sterimol/B2: 4.57859	Sterimol/B3: 5.71429
Sterimol/B4: 6.38918	Sterimol/L: 18.5527

Surface and Volume Properties
Accessible surface: 725.654	Positive charged surface: 567.026	Negative charged surface: 158.628	Volume: 359.25
Hydrophobic surface: 692.923	Hydrophilic surface: 32.731

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.