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ENAMINE-ZINC05062629

 MMsINC code: MMs01581273
Type: Neutral
Formula: C23H21FN2O2
SMILES:   Fc1ccc(cc1)CNC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C23H21FN2O2/c24-20-13-11-18(12-14-20)16-25-23(28)21(15-17-7-3-1-4-8-17)26-22(27)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,25,28)(H,26,27)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.0799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.431 g/mol  logS: -5.59583  SlogP: 3.74957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603781  Sterimol/B1: 2.41431  Sterimol/B2: 3.4697  Sterimol/B3: 3.9312
  Sterimol/B4: 9.16357  Sterimol/L: 18.4699 
 
 Surface and Volume Properties
  Accessible surface: 648.29  Positive charged surface: 357.83  Negative charged surface: 290.46  Volume: 364.375
  Hydrophobic surface: 585.283  Hydrophilic surface: 63.007
 
 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.