PUBCHEM-ZINC04545882

MMsINC code: MMs03131800

• Type: Neutral
• Formula: C₆H₁₁O₁₀P
• SMILES: P(OC1OC(C(O)=O)C(O)C(O)C1O)(O)(O)=O
• InChI: InChI=1/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2+,3+,4+,6+/m0/s1

Potential Energy
Epot(MMFF94)=-20.5162 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 274.118 g/mol
• logS: 1.26399
• SlogP: -4.0823
• Reactive groups: 0

Topological Properties

• Globularity: 0.141222
• Sterimol/B1: 2.34988
• Sterimol/B2: 3.3817
• Sterimol/B3: 3.75199
• Sterimol/B4: 6.28529
• Sterimol/L: 11.9809

Surface and Volume Properties

• Accessible surface: 421.298
• Positive charged surface: 249.225
• Negative charged surface: 172.073
• Volume: 191.875
• Hydrophobic surface: 66.0792
• Hydrophilic surface: 355.2188

Pharmacophoric Properties

• Hydrogen bond donors: 8
• Hydrogen bond acceptors: 10
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 5

Drug- and Lead-like Properties

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