MMsINC Database Search


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MMsINC code: MMs01889447

Type: Neutral
Formula: C₂₂H₂₆O₆

SMILES:

O1CCOCCOc2cc(ccc2OCCOCC1)C(=O)Cc1ccccc1

InChI:

InChI=1/C22H26O6/c23-20(16-18-4-2-1-3-5-18)19-6-7-21-22(17-19)28-15-13-26-11-9-24-8-10-25-12-14-27-21/h1-7,17H,8-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.735 kcal/mol

Physical Properties
Molecular Weight: 386.444 g/mol	logS: -4.19668	SlogP: 2.93297	Reactive groups: 0

Topological Properties
Globularity: 0.0447905	Sterimol/B1: 3.53014	Sterimol/B2: 4.11816	Sterimol/B3: 4.3137
Sterimol/B4: 6.41191	Sterimol/L: 19.5582

Surface and Volume Properties
Accessible surface: 657.703	Positive charged surface: 488.298	Negative charged surface: 169.404	Volume: 377.125
Hydrophobic surface: 606.812	Hydrophilic surface: 50.891

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.