PUBCHEM-ZINC05972950

MMsINC code: MMs03468468

• Type: Neutral
• Formula: C₅H₁₄O₇P₂
• SMILES: P(O)(O)(=O)C(P(O)(O)=O)(O)CCCC
• InChI: InChI=1/C5H14O7P2/c1-2-3-4-5(6,13(7,8)9)14(10,11)12/h6H,2-4H2,1H3,(H2,7,8,9)(H2,10,11,12)

Potential Energy
Epot(MMFF94)=-36.9031 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 248.108 g/mol
• logS: 0.2797
• SlogP: -1.9623
• Reactive groups: 0

Topological Properties

• Globularity: 0.151082
• Sterimol/B1: 3.62059
• Sterimol/B2: 3.68428
• Sterimol/B3: 4.22366
• Sterimol/B4: 4.51982
• Sterimol/L: 11.7719

Surface and Volume Properties

• Accessible surface: 401.496
• Positive charged surface: 232.042
• Negative charged surface: 169.454
• Volume: 188.125
• Hydrophobic surface: 123.813
• Hydrophilic surface: 277.683

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