MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03089490

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)=104.769 kcal/mol

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

Topological Properties
Globularity: 0.0459389	Sterimol/B1: 2.61721	Sterimol/B2: 3.00824	Sterimol/B3: 3.72007
Sterimol/B4: 6.34534	Sterimol/L: 14.9563

Surface and Volume Properties
Accessible surface: 521.058	Positive charged surface: 398.047	Negative charged surface: 123.011	Volume: 255.75
Hydrophobic surface: 201.522	Hydrophilic surface: 319.536

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.