ENAMINE-ZINC03185834

MMsINC code: MMs01299355

• Type: Neutral
• Formula: C₂₄H₃₂N₂O₂
• SMILES: O(Cc1ccccc1)c1ccc(NC(=O)C(NC2CCCCCCC2)C)cc1
• InChI: InChI=1/C24H32N2O2/c1-19(25-21-12-8-3-2-4-9-13-21)24(27)26-22-14-16-23(17-15-22)28-18-20-10-6-5-7-11-20/h5-7,10-11,14-17,19,21,25H,2-4,8-9,12-13,18H2,1H3,(H,26,27)/t19-/m0/s1

Potential Energy
Epot(MMFF94)=153.801 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 380.532 g/mol
• logS: -6.00098
• SlogP: 5.5615
• Reactive groups: 0

Topological Properties

• Globularity: 0.0428383
• Sterimol/B1: 2.3156
• Sterimol/B2: 3.38596
• Sterimol/B3: 4.87407
• Sterimol/B4: 6.13127
• Sterimol/L: 22.6583

Surface and Volume Properties

• Accessible surface: 707.342
• Positive charged surface: 457.14
• Negative charged surface: 250.202
• Volume: 397.875
• Hydrophobic surface: 635.6
• Hydrophilic surface: 71.742

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: 1
• Oprea's lead like rule: 0