PUBCHEM-ZINC03869279

MMsINC code: MMs03078405

• Type: Neutral
• Formula: C₃H₅O₇P
• SMILES: P(OCC(=O)C(O)=O)(O)(O)=O
• InChI: InChI=1/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)

Potential Energy
Epot(MMFF94)=-53.4991 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 184.04 g/mol
• logS: 0.49723
• SlogP: -2.3208
• Reactive groups: 0

Topological Properties

• Globularity: 0.0733797
• Sterimol/B1: 2.71712
• Sterimol/B2: 3.23325
• Sterimol/B3: 3.23478
• Sterimol/B4: 3.6851
• Sterimol/L: 11.7757

Surface and Volume Properties

• Accessible surface: 331.532
• Positive charged surface: 161.14
• Negative charged surface: 170.392
• Volume: 123.625
• Hydrophobic surface: 32.8631
• Hydrophilic surface: 298.6689

Pharmacophoric Properties

• Hydrogen bond donors: 5
• 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