PUBCHEM-ZINC05113447

MMsINC code: MMs03201699

• Type: Ionized
• Formula: C₃H₉NO₄P-
• SMILES: P(OCCC[NH3+])(=O)([O-])[O-]
• InChI: InChI=1/C3H10NO4P/c4-2-1-3-8-9(5,6)7/h1-4H2,(H2,5,6,7)/p-1

Potential Energy
Epot(MMFF94)=-87.5487 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.082 g/mol
• logS: 0.81264
• SlogP: -3.6065
• Reactive groups: 0

Topological Properties

• Globularity: 0.213586
• Sterimol/B1: 2.60541
• Sterimol/B2: 2.95571
• Sterimol/B3: 3.17858
• Sterimol/B4: 4.69788
• Sterimol/L: 8.91826

Surface and Volume Properties

• Accessible surface: 295.794
• Positive charged surface: 179.998
• Negative charged surface: 115.796
• Volume: 118.875
• Hydrophobic surface: 125.949
• Hydrophilic surface: 169.845

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 1
• Acid groups: 3
• Basic groups: 1
• 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