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MAYBRIDGE-ZINC00143108

 MMsINC code: MMs02140005
Type: Neutral
Formula: C13H14F2N2O
SMILES:   Fc1cc(F)cc(-c2nn(cc2)C(C)(C)C)c1O
InChI:   InChI=1/C13H14F2N2O/c1-13(2,3)17-5-4-11(16-17)9-6-8(14)7-10(15)12(9)18/h4-7,18H,1-3H3

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Potential Energy
Epot(MMFF94)=54.2507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.264 g/mol  logS: -3.31975  SlogP: 3.6004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.062003  Sterimol/B1: 2.18798  Sterimol/B2: 4.08659  Sterimol/B3: 4.35784
  Sterimol/B4: 4.87073  Sterimol/L: 13.5946 
 
 Surface and Volume Properties
  Accessible surface: 453.764  Positive charged surface: 254.115  Negative charged surface: 199.65  Volume: 230.5
  Hydrophobic surface: 344.992  Hydrophilic surface: 108.772
 
 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.