CHEMDIV-ZINC04778554

MMsINC code: MMs00953204

• Type: Neutral
• Formula: C₂₄H₃₀N₂O₃
• SMILES: O(CC)c1ccc(NC(=O)C(NC(=O)C2CCCCC2)Cc2ccccc2)cc1
• InChI: InChI=1/C24H30N2O3/c1-2-29-21-15-13-20(14-16-21)25-24(28)22(17-18-9-5-3-6-10-18)26-23(27)19-11-7-4-8-12-19/h3,5-6,9-10,13-16,19,22H,2,4,7-8,11-12,17H2,1H3,(H,25,28)(H,26,27)/t22-/m1/s1

Potential Energy
Epot(MMFF94)=102.285 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 394.515 g/mol
• logS: -5.82102
• SlogP: 4.33157
• Reactive groups: 0

Topological Properties

• Globularity: 0.0282718
• Sterimol/B1: 3.08978
• Sterimol/B2: 3.35764
• Sterimol/B3: 4.9204
• Sterimol/B4: 7.62909
• Sterimol/L: 20.3293

Surface and Volume Properties

• Accessible surface: 697.151
• Positive charged surface: 477.109
• Negative charged surface: 220.042
• Volume: 401.125
• Hydrophobic surface: 614.709
• Hydrophilic surface: 82.442

Pharmacophoric Properties

• Hydrogen bond donors: 2
• 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