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COMGENEX-ZINC06689267

 MMsINC code: MMs01184373
Type: Neutral
Formula: C23H26FN3O
SMILES:   Fc1cc(ccc1)C(=O)N(Cc1nccn1Cc1ccccc1C)CC(C)C
InChI:   InChI=1/C23H26FN3O/c1-17(2)14-27(23(28)19-9-6-10-21(24)13-19)16-22-25-11-12-26(22)15-20-8-5-4-7-18(20)3/h4-13,17H,14-16H2,1-3H3

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Potential Energy
Epot(MMFF94)=170.087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.479 g/mol  logS: -4.79052  SlogP: 5.21012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145723  Sterimol/B1: 4.5292  Sterimol/B2: 5.06895  Sterimol/B3: 5.14345
  Sterimol/B4: 6.87894  Sterimol/L: 15.9835 
 
 Surface and Volume Properties
  Accessible surface: 624.787  Positive charged surface: 378.398  Negative charged surface: 246.39  Volume: 377.25
  Hydrophobic surface: 539.48  Hydrophilic surface: 85.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.