PUBCHEM-ZINC06293279

MMsINC code: MMs03660798

• Type: Neutral
• Formula: C₅H₁₂O₁₀P₂
• SMILES: P(OC1OC(COP(O)(O)=O)C(O)C1)(O)(O)=O
• InChI: InChI=1/C5H12O10P2/c6-3-1-5(15-17(10,11)12)14-4(3)2-13-16(7,8)9/h3-6H,1-2H2,(H2,7,8,9)(H2,10,11,12)/t3-,4+,5-/m1/s1

Potential Energy
Epot(MMFF94)=-124.8 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 294.089 g/mol
• logS: 1.06794
• SlogP: -3.4595
• Reactive groups: 0

Topological Properties

• Globularity: 0.081098
• Sterimol/B1: 2.82303
• Sterimol/B2: 3.52118
• Sterimol/B3: 3.60096
• Sterimol/B4: 6.3564
• Sterimol/L: 13.2217

Surface and Volume Properties

• Accessible surface: 473.378
• Positive charged surface: 263.838
• Negative charged surface: 209.54
• Volume: 201.875
• Hydrophobic surface: 112.827
• Hydrophilic surface: 360.551

Pharmacophoric Properties

• Hydrogen bond donors: 7
• Hydrogen bond acceptors: 10
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 3

Drug- and Lead-like Properties

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