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ENAMINE-ZINC05688237

 MMsINC code: MMs01633066
Type: Neutral
Formula: C23H19FN2O3
SMILES:   Fc1cc(NC(=O)CCCN2C(=O)c3c4c(cccc4ccc3)C2=O)c(cc1)C
InChI:   InChI=1/C23H19FN2O3/c1-14-10-11-16(24)13-19(14)25-20(27)9-4-12-26-22(28)17-7-2-5-15-6-3-8-18(21(15)17)23(26)29/h2-3,5-8,10-11,13H,4,9,12H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.2483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.414 g/mol  logS: -6.34818  SlogP: 4.30222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0688169  Sterimol/B1: 2.8122  Sterimol/B2: 3.46111  Sterimol/B3: 4.74298
  Sterimol/B4: 6.35573  Sterimol/L: 18.7851 
 
 Surface and Volume Properties
  Accessible surface: 646.628  Positive charged surface: 360.017  Negative charged surface: 275.679  Volume: 360.875
  Hydrophobic surface: 556.509  Hydrophilic surface: 90.119
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.