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CHEMBRIDGE-ZINC01060124

 MMsINC code: MMs00655817
Type: Neutral
Formula: C18H17F3N4O2
SMILES:   FC(F)(F)C=1n2nc(cc2N=C(C=1)c1cc(OC)ccc1)C(=O)NC(C)C
InChI:   InChI=1/C18H17F3N4O2/c1-10(2)22-17(26)14-9-16-23-13(11-5-4-6-12(7-11)27-3)8-15(18(19,20)21)25(16)24-14/h4-10H,1-3H3,(H,22,26)

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Potential Energy
Epot(MMFF94)=80.2056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.354 g/mol  logS: -5.05678  SlogP: 3.9874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0168167  Sterimol/B1: 2.12752  Sterimol/B2: 3.56354  Sterimol/B3: 4.46285
  Sterimol/B4: 7.1861  Sterimol/L: 18.941 
 
 Surface and Volume Properties
  Accessible surface: 633.155  Positive charged surface: 340.968  Negative charged surface: 292.187  Volume: 325.875
  Hydrophobic surface: 404.402  Hydrophilic surface: 228.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.