ALFAAESAR-ZINC02390189

MMsINC code: MMs00023157

• Type: Neutral
• Formula: C₄H₉O₅P
• SMILES: P(O)(O)(=O)CCCC(O)=O
• InChI: InChI=1/C4H9O5P/c5-4(6)2-1-3-10(7,8)9/h1-3H2,(H,5,6)(H2,7,8,9)

Potential Energy
Epot(MMFF94)=-48.3884 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 168.085 g/mol
• logS: 0.99945
• SlogP: -1.0413
• Reactive groups: 0

Topological Properties

• Globularity: 0.0940559
• Sterimol/B1: 3.05856
• Sterimol/B2: 3.0823
• Sterimol/B3: 3.28626
• Sterimol/B4: 3.36349
• Sterimol/L: 11.9187

Surface and Volume Properties

• Accessible surface: 334.797
• Positive charged surface: 194.527
• Negative charged surface: 140.27
• Volume: 132.125
• Hydrophobic surface: 98.9417
• Hydrophilic surface: 235.8553

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