PUBCHEM-ZINC05783646

MMsINC code: MMs03384396

• Type: Neutral
• Formula: C₂H₅O₆P
• SMILES: P(O)(O)(=O)C(O)C(O)=O
• InChI: InChI=1/C2H5O6P/c3-1(4)2(5)9(6,7)8/h2,5H,(H,3,4)(H2,6,7,8)/t2-/m1/s1

Potential Energy
Epot(MMFF94)=-19.1791 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 156.03 g/mol
• logS: 1.40495
• SlogP: -2.5031
• Reactive groups: 0

Topological Properties

• Globularity: 0.158701
• Sterimol/B1: 2.52883
• Sterimol/B2: 3.17951
• Sterimol/B3: 3.73154
• Sterimol/B4: 4.15075
• Sterimol/L: 9.3139

Surface and Volume Properties

• Accessible surface: 284.817
• Positive charged surface: 149.413
• Negative charged surface: 135.404
• Volume: 103.25
• Hydrophobic surface: 18.2988
• Hydrophilic surface: 266.5182

Pharmacophoric Properties

• Hydrogen bond donors: 6
• Hydrogen bond acceptors: 6
• 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