PUBCHEM-ZINC01529860

MMsINC code: MMs02813105

• Type: Neutral
• Formula: C₃H₁₀NO₄P
• SMILES: P(OC(CN)C)(O)(O)=O
• InChI: InChI=1/C3H10NO4P/c1-3(2-4)8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m1/s1

Potential Energy
Epot(MMFF94)=-61.9368 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 155.09 g/mol
• logS: 0.80585
• SlogP: -1.6273
• Reactive groups: 0

Topological Properties

• Globularity: 0.129581
• Sterimol/B1: 2.37994
• Sterimol/B2: 2.73034
• Sterimol/B3: 2.96646
• Sterimol/B4: 5.84053
• Sterimol/L: 9.23824

Surface and Volume Properties

• Accessible surface: 317.006
• Positive charged surface: 199.316
• Negative charged surface: 117.69
• Volume: 125.375
• Hydrophobic surface: 108.002
• Hydrophilic surface: 209.004

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 5
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1