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ENAMINE-ZINC06790558

 MMsINC code: MMs01699677
Type: Neutral
Formula: C23H21FN2O2
SMILES:   Fc1cc(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)c(cc1)C
InChI:   InChI=1/C23H21FN2O2/c1-16-12-13-19(24)14-20(16)25-22(27)15-21(17-8-4-2-5-9-17)26-23(28)18-10-6-3-7-11-18/h2-14,21H,15H2,1H3,(H,25,27)(H,26,28)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.5763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.431 g/mol  logS: -5.63271  SlogP: 4.72952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151723  Sterimol/B1: 2.16148  Sterimol/B2: 5.05062  Sterimol/B3: 6.51624
  Sterimol/B4: 8.37727  Sterimol/L: 14.9637 
 
 Surface and Volume Properties
  Accessible surface: 661.428  Positive charged surface: 362.512  Negative charged surface: 298.917  Volume: 366.875
  Hydrophobic surface: 612.647  Hydrophilic surface: 48.781
 
 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.