PUBCHEM-ZINC05829950

MMsINC code: MMs03404869

• Type: Neutral
• Formula: C₆H₁₄O₁₀P₂
• SMILES: P(O)(O)(=O)CC1OC(COP(O)(O)=O)C(O)C1O
• InChI: InChI=1/C6H14O10P2/c7-5-3(1-15-18(12,13)14)16-4(6(5)8)2-17(9,10)11/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1

Potential Energy
Epot(MMFF94)=-64.5415 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 308.116 g/mol
• logS: 1.60754
• SlogP: -4.3778
• Reactive groups: 0

Topological Properties

• Globularity: 0.102989
• Sterimol/B1: 3.35185
• Sterimol/B2: 3.59381
• Sterimol/B3: 4.77624
• Sterimol/B4: 5.48999
• Sterimol/L: 12.7264

Surface and Volume Properties

• Accessible surface: 489.478
• Positive charged surface: 294.853
• Negative charged surface: 194.625
• Volume: 219.125
• Hydrophobic surface: 115.587
• Hydrophilic surface: 373.891

Pharmacophoric Properties

• Hydrogen bond donors: 8
• Hydrogen bond acceptors: 10
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 4

Drug- and Lead-like Properties

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