ALFAAESAR-ZINC02008859

MMsINC code: MMs00022331

• Type: Neutral
• Formula: C₃H₇O₅P
• SMILES: P(O)(O)(=O)C(C(O)=O)C
• InChI: InChI=1/C3H7O5P/c1-2(3(4)5)9(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1

Potential Energy
Epot(MMFF94)=-53.8926 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.058 g/mol
• logS: 0.75593
• SlogP: -1.433
• Reactive groups: 0

Topological Properties

• Globularity: 0.204347
• Sterimol/B1: 2.08567
• Sterimol/B2: 2.90585
• Sterimol/B3: 3.62386
• Sterimol/B4: 5.34319
• Sterimol/L: 9.2204

Surface and Volume Properties

• Accessible surface: 295.79
• Positive charged surface: 166.033
• Negative charged surface: 129.758
• Volume: 113
• Hydrophobic surface: 65.6013
• Hydrophilic surface: 230.1887

Pharmacophoric Properties

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