PUBCHEM-ZINC03647400

MMsINC code: MMs03033171

• Type: Neutral
• Formula: C₃H₈NO₃P
• SMILES: P(O)(O)(=O)C1(N)CC1
• InChI: InChI=1/C3H8NO3P/c4-3(1-2-3)8(5,6)7/h1-2,4H2,(H2,5,6,7)

Potential Energy
Epot(MMFF94)=-7.00748 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 137.075 g/mol
• logS: 0.77928
• SlogP: -1.4573
• Reactive groups: 0

Topological Properties

• Globularity: 0.306703
• Sterimol/B1: 2.93572
• Sterimol/B2: 2.9864
• Sterimol/B3: 3.70377
• Sterimol/B4: 4.18653
• Sterimol/L: 8.49764

Surface and Volume Properties

• Accessible surface: 291.54
• Positive charged surface: 164.886
• Negative charged surface: 126.654
• Volume: 111.875
• Hydrophobic surface: 67.5567
• Hydrophilic surface: 223.9833

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 4
• 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