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ENAMINE-ZINC03428130

 MMsINC code: MMs01435806
Type: Neutral
Formula: C23H21FN2O2
SMILES:   Fc1ccc(cc1)CNC(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H21FN2O2/c24-20-13-11-17(12-14-20)16-25-22(27)15-21(18-7-3-1-4-8-18)26-23(28)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,25,27)(H,26,28)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.3694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.431 g/mol  logS: -5.41628  SlogP: 4.3652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913206  Sterimol/B1: 2.42296  Sterimol/B2: 3.27388  Sterimol/B3: 4.55576
  Sterimol/B4: 11.2106  Sterimol/L: 17.0755 
 
 Surface and Volume Properties
  Accessible surface: 679.014  Positive charged surface: 371.332  Negative charged surface: 307.682  Volume: 365.75
  Hydrophobic surface: 608.817  Hydrophilic surface: 70.197
 
 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.