PUBCHEM-ZINC06363315

MMsINC code: MMs03687537

• Type: Neutral
• Formula: C₁₇H₁₉N₂O₆P
• SMILES: P(OCNC(=O)C(NC(=O)C)(c1ccccc1)c1ccccc1)(O)(O)=O
• InChI: InChI=1/C17H19N2O6P/c1-13(20)19-17(14-8-4-2-5-9-14,15-10-6-3-7-11-15)16(21)18-12-25-26(22,23)24/h2-11H,12H2,1H3,(H,18,21)(H,19,20)(H2,22,23,24)

Potential Energy
Epot(MMFF94)=22.353 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 378.321 g/mol
• logS: -2.76938
• SlogP: 0.4906
• Reactive groups: 0

Topological Properties

• Globularity: 0.282489
• Sterimol/B1: 1.98926
• Sterimol/B2: 5.11194
• Sterimol/B3: 6.51945
• Sterimol/B4: 7.92925
• Sterimol/L: 14.113

Surface and Volume Properties

• Accessible surface: 607.513
• Positive charged surface: 343.387
• Negative charged surface: 264.127
• Volume: 328.875
• Hydrophobic surface: 407.562
• Hydrophilic surface: 199.951

Pharmacophoric Properties

• Hydrogen bond donors: 5
• 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