MMsINC Database Search


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MMsINC code: MMs03221684

Type: Neutral
Formula: C₂₀H₃₂O₆

SMILES:

O1CCOCCOCCOc2c(OCCOCC1)cc(cc2)C(C)(C)C

InChI:

InChI=1/C20H32O6/c1-20(2,3)17-4-5-18-19(16-17)26-15-13-24-11-9-22-7-6-21-8-10-23-12-14-25-18/h4-5,16H,6-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.349 kcal/mol

Physical Properties
Molecular Weight: 368.47 g/mol	logS: -4.22462	SlogP: 2.8217	Reactive groups: 0

Topological Properties
Globularity: 0.0409704	Sterimol/B1: 3.433	Sterimol/B2: 3.75614	Sterimol/B3: 5.08159
Sterimol/B4: 7.05797	Sterimol/L: 17.2812

Surface and Volume Properties
Accessible surface: 662.272	Positive charged surface: 554.242	Negative charged surface: 108.03	Volume: 376.375
Hydrophobic surface: 584.936	Hydrophilic surface: 77.336

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.