MMsINC Database Search


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MMsINC code: MMs03176512

Type: Neutral
Formula: C₁₁H₂₂O₆

SMILES:

O1C(C(OC)COC)C(OC)C(OC)C1OC

InChI:

InChI=1/C11H22O6/c1-12-6-7(13-2)8-9(14-3)10(15-4)11(16-5)17-8/h7-11H,6H2,1-5H3/t7-,8+,9-,10-,11+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.147 kcal/mol

Physical Properties
Molecular Weight: 250.291 g/mol	logS: -0.47595	SlogP: 0.0491	Reactive groups: 0

Topological Properties
Globularity: 0.106882	Sterimol/B1: 3.22672	Sterimol/B2: 3.4712	Sterimol/B3: 4.49906
Sterimol/B4: 6.00158	Sterimol/L: 13.3548

Surface and Volume Properties
Accessible surface: 490.55	Positive charged surface: 465.152	Negative charged surface: 25.3974	Volume: 247.5
Hydrophobic surface: 461.845	Hydrophilic surface: 28.705

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 5

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.