PUBCHEM-ZINC05606640

MMsINC code: MMs03323084

• Type: Neutral
• Formula: C₁₃H₂₃FO₁₀
• SMILES: FCC1OC(OCC2OC(OC)C(O)C(O)C2O)C(O)C(O)C1O
• InChI: InChI=1/C13H23FO10/c1-21-12-10(19)9(18)7(16)5(24-12)3-22-13-11(20)8(17)6(15)4(2-14)23-13/h4-13,15-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10-,11-,12+,13+/m1/s1

Potential Energy
Epot(MMFF94)=121.364 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 358.315 g/mol
• logS: 0.67131
• SlogP: -3.7659
• Reactive groups: 1

Topological Properties

• Globularity: 0.232114
• Sterimol/B1: 2.10731
• Sterimol/B2: 4.49825
• Sterimol/B3: 5.0731
• Sterimol/B4: 7.1646
• Sterimol/L: 13.4355

Surface and Volume Properties

• Accessible surface: 554.881
• Positive charged surface: 417.078
• Negative charged surface: 137.803
• Volume: 293.25
• Hydrophobic surface: 252.858
• Hydrophilic surface: 302.023

Pharmacophoric Properties

• Hydrogen bond donors: 6
• Hydrogen bond acceptors: 10
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 10

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 1
• Oprea's lead like rule: 0