PUBCHEM-ZINC01529803

MMsINC code: MMs02813069

• Type: Ionized
• Formula: C₃H₆O₅P-
• SMILES: P1(OC(CO1)CO)(=O)[O-]
• InChI: InChI=1/C3H7O5P/c4-1-3-2-7-9(5,6)8-3/h3-4H,1-2H2,(H,5,6)/p-1/t3-/m0/s1

Potential Energy
Epot(MMFF94)=-5.73514 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 153.05 g/mol
• logS: 0.46142
• SlogP: -2.2077
• Reactive groups: 0

Topological Properties

• Globularity: 0.217591
• Sterimol/B1: 2.33025
• Sterimol/B2: 2.89362
• Sterimol/B3: 3.40254
• Sterimol/B4: 4.50251
• Sterimol/L: 8.61204

Surface and Volume Properties

• Accessible surface: 285.76
• Positive charged surface: 152.971
• Negative charged surface: 132.789
• Volume: 108.875
• Hydrophobic surface: 117.427
• Hydrophilic surface: 168.333

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 3
• 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