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ENAMINE-ZINC03428154

 MMsINC code: MMs01435820
Type: Neutral
Formula: C25H25FN2O2
SMILES:   Fc1ccccc1C(=O)NC(C(C)C)C(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H25FN2O2/c1-17(2)22(27-24(29)20-15-9-10-16-21(20)26)25(30)28-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22-23H,1-2H3,(H,27,29)(H,28,30)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.485 g/mol  logS: -6.26511  SlogP: 4.5814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150515  Sterimol/B1: 3.15744  Sterimol/B2: 5.134  Sterimol/B3: 5.86647
  Sterimol/B4: 6.37023  Sterimol/L: 17.6767 
 
 Surface and Volume Properties
  Accessible surface: 671.112  Positive charged surface: 376.572  Negative charged surface: 294.539  Volume: 399.875
  Hydrophobic surface: 591.594  Hydrophilic surface: 79.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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
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Ions/Tautomers related molecules: no related molecules available.