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ENAMINE-ZINC05444453

 MMsINC code: MMs01613637
Type: Neutral
Formula: C12H12F4N2O3
SMILES:   FC(F)Oc1cc(OC(F)F)ccc1/C(=N\NC(=O)C)/C
InChI:   InChI=1/C12H12F4N2O3/c1-6(17-18-7(2)19)9-4-3-8(20-11(13)14)5-10(9)21-12(15)16/h3-5,11-12H,1-2H3,(H,18,19)/b17-6+

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Potential Energy
Epot(MMFF94)=99.3512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.231 g/mol  logS: -2.35227  SlogP: 3.5893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0208691  Sterimol/B1: 2.04899  Sterimol/B2: 2.63965  Sterimol/B3: 2.64256
  Sterimol/B4: 7.68171  Sterimol/L: 15.526 
 
 Surface and Volume Properties
  Accessible surface: 492.562  Positive charged surface: 253.968  Negative charged surface: 238.594  Volume: 242.5
  Hydrophobic surface: 266.796  Hydrophilic surface: 225.766
 
 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.