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ENAMINE-ZINC03250175

 MMsINC code: MMs01330204
Type: Neutral
Formula: C19H17F3N4O
SMILES:   FC(F)(F)c1cc(NC(=O)c2cc(N(C)C)ccc2)c(-n2ccnc2)cc1
InChI:   InChI=1/C19H17F3N4O/c1-25(2)15-5-3-4-13(10-15)18(27)24-16-11-14(19(20,21)22)6-7-17(16)26-9-8-23-12-26/h3-12H,1-2H3,(H,24,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.366 g/mol  logS: -4.66092  SlogP: 4.5209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300815  Sterimol/B1: 2.82807  Sterimol/B2: 3.37203  Sterimol/B3: 6.10035
  Sterimol/B4: 6.25526  Sterimol/L: 15.6756 
 
 Surface and Volume Properties
  Accessible surface: 605.914  Positive charged surface: 351.395  Negative charged surface: 254.519  Volume: 328.5
  Hydrophobic surface: 440.539  Hydrophilic surface: 165.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.