PUBCHEM-ZINC01532889

MMsINC code: MMs02813782

• Type: Neutral
• Formula: C₃H₁₀NO₄P
• SMILES: P(OCCNC)(O)(O)=O
• InChI: InChI=1/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)

Potential Energy
Epot(MMFF94)=-62.7036 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 155.09 g/mol
• logS: 1.05748
• SlogP: -1.7551
• Reactive groups: 0

Topological Properties

• Globularity: 0.099912
• Sterimol/B1: 2.57445
• Sterimol/B2: 2.77138
• Sterimol/B3: 3.73826
• Sterimol/B4: 3.98662
• Sterimol/L: 10.6801

Surface and Volume Properties

• Accessible surface: 338.745
• Positive charged surface: 245.885
• Negative charged surface: 92.8598
• Volume: 128
• Hydrophobic surface: 161.597
• Hydrophilic surface: 177.148

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