PUBCHEM-ZINC05113453

MMsINC code: MMs03201705

• Type: Neutral
• Formula: C₃H₁₀NO₂P
• SMILES: [PH](O)(=O)CCCN
• InChI: InChI=1/C3H10NO2P/c4-2-1-3-7(5)6/h7H,1-4H2,(H,5,6)

Potential Energy
Epot(MMFF94)=-15.9647 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 123.092 g/mol
• logS: 0.4839
• SlogP: -1.268
• Reactive groups: 0

Topological Properties

• Globularity: 0.0871102
• Sterimol/B1: 2.52714
• Sterimol/B2: 2.8826
• Sterimol/B3: 2.90709
• Sterimol/B4: 3.21003
• Sterimol/L: 10.7859

Surface and Volume Properties

• Accessible surface: 301.433
• Positive charged surface: 192.88
• Negative charged surface: 108.553
• Volume: 113.25
• Hydrophobic surface: 137.539
• Hydrophilic surface: 163.894

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 3
• 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