PUBCHEM-ZINC03869233

MMsINC code: MMs03078342

• Type: Neutral
• Formula: C₃H₈O₁₀P₂
• SMILES: P(OC(C(O)=O)COP(O)(O)=O)(O)(O)=O
• InChI: InChI=1/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m0/s1

Potential Energy
Epot(MMFF94)=-135.887 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 266.035 g/mol
• logS: 1.24354
• SlogP: -3.4822
• Reactive groups: 0

Topological Properties

• Globularity: 0.131375
• Sterimol/B1: 2.3345
• Sterimol/B2: 4.18852
• Sterimol/B3: 4.24499
• Sterimol/B4: 4.92054
• Sterimol/L: 11.6522

Surface and Volume Properties

• Accessible surface: 418.313
• Positive charged surface: 204.244
• Negative charged surface: 214.069
• Volume: 170.25
• Hydrophobic surface: 40.7719
• Hydrophilic surface: 377.5411

Pharmacophoric Properties

• Hydrogen bond donors: 8
• Hydrogen bond acceptors: 10
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

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