MICROSOURCE-ZINC03872713

MMsINC code: MMs02188184

• Type: Neutral
• Formula: C₃H₈NO₅P
• SMILES: P(O)(O)(=O)CNCC(O)=O
• InChI: InChI=1/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)

Potential Energy
Epot(MMFF94)=3.43483 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 169.073 g/mol
• logS: 1.6107
• SlogP: -2.2744
• Reactive groups: 0

Topological Properties

• Globularity: 0.125186
• Sterimol/B1: 2.60432
• Sterimol/B2: 3.32873
• Sterimol/B3: 3.45155
• Sterimol/B4: 4.0613
• Sterimol/L: 11.2566

Surface and Volume Properties

• Accessible surface: 323.124
• Positive charged surface: 189.688
• Negative charged surface: 133.436
• Volume: 126.875
• Hydrophobic surface: 73.0695
• Hydrophilic surface: 250.0545

Pharmacophoric Properties

• Hydrogen bond donors: 6
• Hydrogen bond acceptors: 6
• 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