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ENAMINE-ZINC03350747

 MMsINC code: MMs01389416
Type: Neutral
Formula: C24H19F3N2O
SMILES:   FC(F)(F)c1ccccc1C(=O)NCC(c1ccccc1)c1c2c([nH]c1)cccc2
InChI:   InChI=1/C24H19F3N2O/c25-24(26,27)21-12-6-4-11-18(21)23(30)29-14-19(16-8-2-1-3-9-16)20-15-28-22-13-7-5-10-17(20)22/h1-13,15,19,28H,14H2,(H,29,30)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.423 g/mol  logS: -6.34929  SlogP: 6.0601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154125  Sterimol/B1: 2.53926  Sterimol/B2: 3.59156  Sterimol/B3: 5.11985
  Sterimol/B4: 9.12707  Sterimol/L: 17.0104 
 
 Surface and Volume Properties
  Accessible surface: 658.235  Positive charged surface: 312.357  Negative charged surface: 341.038  Volume: 371.375
  Hydrophobic surface: 507.008  Hydrophilic surface: 151.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.