ALFAAESAR-ZINC02008858

MMsINC code: MMs00022329

• Type: Neutral
• Formula: C₃H₇O₅P
• SMILES: P(O)(O)(=O)CCC(O)=O
• InChI: InChI=1/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)

Potential Energy
Epot(MMFF94)=-53.7372 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.058 g/mol
• logS: 1.20122
• SlogP: -1.4314
• Reactive groups: 0

Topological Properties

• Globularity: 0.121181
• Sterimol/B1: 2.88327
• Sterimol/B2: 3.06994
• Sterimol/B3: 3.2734
• Sterimol/B4: 3.41747
• Sterimol/L: 10.686

Surface and Volume Properties

• Accessible surface: 303.949
• Positive charged surface: 168.355
• Negative charged surface: 135.595
• Volume: 114.875
• Hydrophobic surface: 68.9675
• Hydrophilic surface: 234.9815

Pharmacophoric Properties

• Hydrogen bond donors: 5
• 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