PUBCHEM-ZINC05113453

MMsINC code: MMs03201706

• Type: Ionized
• Formula: C₃H₁₁NO₂P+
• SMILES: [PH](O)(=O)CCC[NH3+]
• InChI: InChI=1/C3H10NO2P/c4-2-1-3-7(5)6/h7H,1-4H2,(H,5,6)/p+1

Potential Energy
Epot(MMFF94)=-18.4021 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 124.1 g/mol
• logS: 0.50829
• SlogP: -1.9848
• Reactive groups: 0

Topological Properties

• Globularity: 0.0936562
• Sterimol/B1: 2.56694
• Sterimol/B2: 2.84913
• Sterimol/B3: 3.03156
• Sterimol/B4: 3.0571
• Sterimol/L: 10.7176

Surface and Volume Properties

• Accessible surface: 308.761
• Positive charged surface: 218.654
• Negative charged surface: 90.1067
• Volume: 115.5
• Hydrophobic surface: 129.059
• Hydrophilic surface: 179.702

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 2
• Acid groups: 0
• Basic groups: 1
• 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