MMsINC Database Search


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MMsINC code: MMs03759703

Type: Neutral
Formula: C₁₁H₂₀O₉

SMILES:

O1C(CO)C(O)C(O)C1OCC1OC(OC)C(O)C1O

InChI:

InChI=1/C11H20O9/c1-17-10-8(15)7(14)5(20-10)3-18-11-9(16)6(13)4(2-12)19-11/h4-16H,2-3H2,1H3/t4-,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)=118.232 kcal/mol

Physical Properties
Molecular Weight: 296.272 g/mol	logS: 0.79246	SlogP: -3.4649	Reactive groups: 0

Topological Properties
Globularity: 0.0694368	Sterimol/B1: 2.07481	Sterimol/B2: 2.8113	Sterimol/B3: 3.75949
Sterimol/B4: 7.06718	Sterimol/L: 14.118

Surface and Volume Properties
Accessible surface: 527.889	Positive charged surface: 438.621	Negative charged surface: 89.2673	Volume: 254.875
Hydrophobic surface: 288.763	Hydrophilic surface: 239.126

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 9	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.