PUBCHEM-ZINC05113447

MMsINC code: MMs03201698

• Type: Neutral
• Formula: C₃H₁₀NO₄P
• SMILES: P(OCCCN)(O)(O)=O
• InChI: InChI=1/C3H10NO4P/c4-2-1-3-8-9(5,6)7/h1-4H2,(H2,5,6,7)

Potential Energy
Epot(MMFF94)=-74.0289 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 155.09 g/mol
• logS: 0.93129
• SlogP: -1.6257
• Reactive groups: 0

Topological Properties

• Globularity: 0.0772295
• Sterimol/B1: 2.56079
• Sterimol/B2: 2.57578
• Sterimol/B3: 3.51288
• Sterimol/B4: 3.88065
• Sterimol/L: 11.7438

Surface and Volume Properties

• Accessible surface: 334.289
• Positive charged surface: 225.155
• Negative charged surface: 109.134
• Volume: 124.75
• Hydrophobic surface: 112.891
• Hydrophilic surface: 221.398

Pharmacophoric Properties

• Hydrogen bond donors: 4
• 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