PUBCHEM-ZINC05133270

MMsINC code: MMs03208186

• Type: Neutral
• Formula: C₃H₇O₅P
• SMILES: P1(OCC(O)CO1)(O)=O
• InChI: InChI=1/C3H7O5P/c4-3-1-7-9(5,6)8-2-3/h3-4H,1-2H2,(H,5,6)

Potential Energy
Epot(MMFF94)=-22.7575 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.058 g/mol
• logS: 0.53294
• SlogP: -1.5757
• Reactive groups: 0

Topological Properties

• Globularity: 0.1745
• Sterimol/B1: 2.44038
• Sterimol/B2: 3.1009
• Sterimol/B3: 3.17774
• Sterimol/B4: 4.76742
• Sterimol/L: 9.47787

Surface and Volume Properties

• Accessible surface: 288.393
• Positive charged surface: 181.943
• Negative charged surface: 106.45
• Volume: 111.625
• Hydrophobic surface: 113.952
• Hydrophilic surface: 174.441

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 5
• 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