MMsINC Database Search


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MMsINC code: MMs03130899

Type: Neutral
Formula: C₁₁H₂₀O₁₀

SMILES:

O1CC(O)C(O)C(O)C1OC1C(O)C(O)C(O)C(O)C1O

InChI:

InChI=1/C11H20O10/c12-2-1-20-11(9(19)3(2)13)21-10-7(17)5(15)4(14)6(16)8(10)18/h2-19H,1H2/t2-,3+,4-,5+,6-,7+,8-,9-,10-,11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.135 kcal/mol

Physical Properties
Molecular Weight: 312.271 g/mol	logS: 1.56609	SlogP: -5.3713	Reactive groups: 0

Topological Properties
Globularity: 0.143296	Sterimol/B1: 2.40099	Sterimol/B2: 4.41992	Sterimol/B3: 4.64205
Sterimol/B4: 5.27474	Sterimol/L: 13.2313

Surface and Volume Properties
Accessible surface: 492.755	Positive charged surface: 394.308	Negative charged surface: 98.4478	Volume: 253.375
Hydrophobic surface: 179.934	Hydrophilic surface: 312.821

Pharmacophoric Properties
Hydrogen bond donors: 8	Hydrogen bond acceptors: 10	Acid groups: 0	Basic groups: 0
Chiral centers: 8

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.