MMsINC Database Search


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MMsINC code: MMs00742031

Type: Neutral
Formula: C₂₀H₂₆O₆

SMILES:

O(CCCCOc1c(OC)cccc1OC)c1c(OC)cccc1OC

InChI:

InChI=1/C20H26O6/c1-21-15-9-7-10-16(22-2)19(15)25-13-5-6-14-26-20-17(23-3)11-8-12-18(20)24-4/h7-12H,5-6,13-14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.033 kcal/mol

Physical Properties
Molecular Weight: 362.422 g/mol	logS: -3.88504	SlogP: 3.959	Reactive groups: 0

Topological Properties
Globularity: 0.0162656	Sterimol/B1: 2.35177	Sterimol/B2: 2.45513	Sterimol/B3: 2.86802
Sterimol/B4: 9.50752	Sterimol/L: 18.7487

Surface and Volume Properties
Accessible surface: 703.068	Positive charged surface: 572.671	Negative charged surface: 130.397	Volume: 353.5
Hydrophobic surface: 671.595	Hydrophilic surface: 31.473

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.