PUBCHEM-ZINC03626072

MMsINC code: MMs03025893

• Type: Neutral
• Formula: C₃H₇O₅P
• SMILES: P(OC)(O)(=O)CC(O)=O
• InChI: InChI=1/C3H7O5P/c1-8-9(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)

Potential Energy
Epot(MMFF94)=-28.5083 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.058 g/mol
• logS: 0.73796
• SlogP: -1.1674
• Reactive groups: 0

Topological Properties

• Globularity: 0.111694
• Sterimol/B1: 3.02879
• Sterimol/B2: 3.10295
• Sterimol/B3: 3.39993
• Sterimol/B4: 3.51067
• Sterimol/L: 10.4783

Surface and Volume Properties

• Accessible surface: 310.462
• Positive charged surface: 197.508
• Negative charged surface: 112.954
• Volume: 116.375
• Hydrophobic surface: 133.432
• Hydrophilic surface: 177.03

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 5
• 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