PUBCHEM-ZINC06824626

MMsINC code: MMs03869045

• Type: Neutral
• Formula: C₂₄H₃₄N₂O₅
• SMILES: O1C(CNC(=O)C(C\C=C\CCCCC1=O)CC(=O)NC(Cc1ccccc1)CO)C
• InChI: InChI=1/C24H34N2O5/c1-18-16-25-24(30)20(12-8-3-2-4-9-13-23(29)31-18)15-22(28)26-21(17-27)14-19-10-6-5-7-11-19/h3,5-8,10-11,18,20-21,27H,2,4,9,12-17H2,1H3,(H,25,30)(H,26,28)/b8-3+/t18-,20-,21-/m0/s1

Potential Energy
Epot(MMFF94)=86.2791 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 430.545 g/mol
• logS: -3.26715
• SlogP: 2.28067
• Reactive groups: 0

Topological Properties

• Globularity: 0.147019
• Sterimol/B1: 2.70094
• Sterimol/B2: 3.71969
• Sterimol/B3: 6.2604
• Sterimol/B4: 7.89725
• Sterimol/L: 15.3032

Surface and Volume Properties

• Accessible surface: 676.704
• Positive charged surface: 478.93
• Negative charged surface: 197.774
• Volume: 429.625
• Hydrophobic surface: 517.122
• Hydrophilic surface: 159.582

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 4
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 3

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1