PUBCHEM-ZINC01529777

MMsINC code: MMs02813041

• Type: Ionized
• Formula: C₃H₇O₅P-2
• SMILES: P(OCC(O)C)(=O)([O-])[O-]
• InChI: InChI=1/C3H9O5P/c1-3(4)2-8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/p-2/t3-/m0/s1

Potential Energy
Epot(MMFF94)=-4.66972 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.058 g/mol
• logS: 0.55671
• SlogP: -2.8577
• Reactive groups: 0

Topological Properties

• Globularity: 0.259233
• Sterimol/B1: 2.44563
• Sterimol/B2: 2.79538
• Sterimol/B3: 3.34678
• Sterimol/B4: 4.44384
• Sterimol/L: 8.958

Surface and Volume Properties

• Accessible surface: 294.721
• Positive charged surface: 141.348
• Negative charged surface: 153.373
• Volume: 114.375
• Hydrophobic surface: 109.24
• Hydrophilic surface: 185.481

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 2
• Acid groups: 3
• 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