PUBCHEM-ZINC05178705

MMsINC code: MMs03220968

• Type: Ionized
• Formula: C₄H₉O₅P-2
• SMILES: P(OCCCCO)(=O)([O-])[O-]
• InChI: InChI=1/C4H11O5P/c5-3-1-2-4-9-10(6,7)8/h5H,1-4H2,(H2,6,7,8)/p-2

Potential Energy
Epot(MMFF94)=-7.16904 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 168.085 g/mol
• logS: 0.48038
• SlogP: -2.466
• Reactive groups: 0

Topological Properties

• Globularity: 0.0788281
• Sterimol/B1: 2.316
• Sterimol/B2: 2.79298
• Sterimol/B3: 3.32804
• Sterimol/B4: 3.37848
• Sterimol/L: 12.0445

Surface and Volume Properties

• Accessible surface: 341.794
• Positive charged surface: 179.37
• Negative charged surface: 162.425
• Volume: 131.875
• Hydrophobic surface: 151.44
• Hydrophilic surface: 190.354

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 2
• Acid groups: 3
• 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