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ENAMINE-ZINC05671919

 MMsINC code: MMs01631522
Type: Neutral
Formula: C19H13F3N4O2
SMILES:   FC(F)(F)c1cc(NC(=O)c2cc(NC(=O)c3nccnc3)ccc2)ccc1
InChI:   InChI=1/C19H13F3N4O2/c20-19(21,22)13-4-2-6-15(10-13)25-17(27)12-3-1-5-14(9-12)26-18(28)16-11-23-7-8-24-16/h1-11H,(H,25,27)(H,26,28)

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Potential Energy
Epot(MMFF94)=132.298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.333 g/mol  logS: -4.01805  SlogP: 4.3115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0186858  Sterimol/B1: 2.54045  Sterimol/B2: 2.77248  Sterimol/B3: 3.47798
  Sterimol/B4: 8.80088  Sterimol/L: 18.1888 
 
 Surface and Volume Properties
  Accessible surface: 615.611  Positive charged surface: 329.124  Negative charged surface: 286.488  Volume: 324.125
  Hydrophobic surface: 401.584  Hydrophilic surface: 214.027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.