PUBCHEM-ZINC05839719

MMsINC code: MMs03410055

• Type: Neutral
• Formula: C₅H₁₂O₇P₂
• SMILES: P(O)(O)(=O)C(P(O)(O)=O)(O)C1CCC1
• InChI: InChI=1/C5H12O7P2/c6-5(13(7,8)9,14(10,11)12)4-2-1-3-4/h4,6H,1-3H2,(H2,7,8,9)(H2,10,11,12)

Potential Energy
Epot(MMFF94)=-28.3235 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 246.092 g/mol
• logS: 0.69519
• SlogP: -2.3524
• Reactive groups: 0

Topological Properties

• Globularity: 0.267501
• Sterimol/B1: 3.4625
• Sterimol/B2: 3.62673
• Sterimol/B3: 3.8322
• Sterimol/B4: 5.50636
• Sterimol/L: 10.2196

Surface and Volume Properties

• Accessible surface: 372.516
• Positive charged surface: 114.062
• Negative charged surface: 130.262
• Volume: 179.75
• Hydrophobic surface: 128.192
• Hydrophilic surface: 244.324

Pharmacophoric Properties

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

Drug- and Lead-like Properties

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