PUBCHEM-ZINC05112786

MMsINC code: MMs03201207

• Type: Neutral
• Formula: C₃H₇O₄P
• SMILES: [PH](=O)(CC(O)=O)CO
• InChI: InChI=1/C3H7O4P/c4-2-8(7)1-3(5)6/h4,8H,1-2H2,(H,5,6)

Potential Energy
Epot(MMFF94)=5.25345 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 138.059 g/mol
• logS: 0.78761
• SlogP: -1.4897
• Reactive groups: 0

Topological Properties

• Globularity: 0.11848
• Sterimol/B1: 2.12468
• Sterimol/B2: 2.98311
• Sterimol/B3: 3.09033
• Sterimol/B4: 3.95442
• Sterimol/L: 10.4663

Surface and Volume Properties

• Accessible surface: 300.346
• Positive charged surface: 163.039
• Negative charged surface: 137.307
• Volume: 109.625
• Hydrophobic surface: 113.682
• Hydrophilic surface: 186.664

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 4
• 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