MMsINC Database Search


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MMsINC code: MMs03687020

Type: Neutral
Formula: C₁₁H₂₀O₁₀

SMILES:

O1C(COC2OCC(O)C(O)C2O)C(O)C(O)C(O)C1O

InChI:

InChI=1/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2/t3-,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)=124.238 kcal/mol

Physical Properties
Molecular Weight: 312.271 g/mol	logS: 1.34018	SlogP: -4.7581	Reactive groups: 0

Topological Properties
Globularity: 0.0689713	Sterimol/B1: 2.42246	Sterimol/B2: 2.90156	Sterimol/B3: 3.53778
Sterimol/B4: 6.38277	Sterimol/L: 14.743

Surface and Volume Properties
Accessible surface: 518.856	Positive charged surface: 417.314	Negative charged surface: 101.542	Volume: 256.625
Hydrophobic surface: 215.421	Hydrophilic surface: 303.435

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 10	Acid groups: 0	Basic groups: 0
Chiral centers: 9

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.