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ENAMINE-ZINC04482440

 MMsINC code: MMs01540681
Type: Neutral
Formula: C11H10F3NOS
SMILES:   S1CC(O)(N=C1Cc1ccccc1)C(F)(F)F
InChI:   InChI=1/C11H10F3NOS/c12-11(13,14)10(16)7-17-9(15-10)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=80.725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.267 g/mol  logS: -3.97912  SlogP: 3.04517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197114  Sterimol/B1: 3.06915  Sterimol/B2: 3.48726  Sterimol/B3: 3.94921
  Sterimol/B4: 5.35671  Sterimol/L: 11.3742 
 
 Surface and Volume Properties
  Accessible surface: 431.919  Positive charged surface: 203.405  Negative charged surface: 228.514  Volume: 211.125
  Hydrophobic surface: 254.413  Hydrophilic surface: 177.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.