PUBCHEM-ZINC05112786

MMsINC code: MMs03201208

• Type: Ionized
• Formula: C₃H₆O₄P-
• 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)/p-1

Potential Energy
Epot(MMFF94)=-0.229428 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 137.051 g/mol
• logS: 0.52716
• SlogP: -2.8244
• Reactive groups: 0

Topological Properties

• Globularity: 0.150978
• Sterimol/B1: 2.20215
• Sterimol/B2: 2.74715
• Sterimol/B3: 3.67529
• Sterimol/B4: 3.7512
• Sterimol/L: 10.1216

Surface and Volume Properties

• Accessible surface: 285.705
• Positive charged surface: 134.845
• Negative charged surface: 150.86
• Volume: 106.5
• Hydrophobic surface: 95.8107
• Hydrophilic surface: 189.8943

Pharmacophoric Properties

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