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ENAMINE-ZINC04932745

 MMsINC code: MMs01566297
Type: Neutral
Formula: C15H11F3N4
SMILES:   FC(F)(F)c1cc(ccc1)-c1nn(nn1)Cc1ccccc1
InChI:   InChI=1/C15H11F3N4/c16-15(17,18)13-8-4-7-12(9-13)14-19-21-22(20-14)10-11-5-2-1-3-6-11/h1-9H,10H2

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Potential Energy
Epot(MMFF94)=81.0344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.275 g/mol  logS: -4.73958  SlogP: 3.9851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0839866  Sterimol/B1: 2.31988  Sterimol/B2: 3.94929  Sterimol/B3: 4.45568
  Sterimol/B4: 5.49377  Sterimol/L: 15.3243 
 
 Surface and Volume Properties
  Accessible surface: 523.821  Positive charged surface: 223.202  Negative charged surface: 300.619  Volume: 262.125
  Hydrophobic surface: 349.397  Hydrophilic surface: 174.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.