PUBCHEM-ZINC05131871

MMsINC code: MMs03206778

• 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)=-69.5955 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: 0.112502
• Sterimol/B1: 3.31
• Sterimol/B2: 3.41219
• Sterimol/B3: 4.79625
• Sterimol/B4: 5.92255
• Sterimol/L: 12.3668

Surface and Volume Properties

• Accessible surface: 481.865
• Positive charged surface: 280.294
• Negative charged surface: 201.571
• Volume: 218.25
• Hydrophobic surface: 105.722
• Hydrophilic surface: 376.143

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