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ENAMINE-ZINC02620727

 MMsINC code: MMs01255176
Type: Neutral
Formula: C11H7F3N2O2S
SMILES:   s1cccc1C(=O)NC1=CC(=CNC1=O)C(F)(F)F
InChI:   InChI=1/C11H7F3N2O2S/c12-11(13,14)6-4-7(9(17)15-5-6)16-10(18)8-2-1-3-19-8/h1-5H,(H,15,17)(H,16,18)

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Potential Energy
Epot(MMFF94)=71.0952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.249 g/mol  logS: -3.59561  SlogP: 2.3577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0467236  Sterimol/B1: 2.74618  Sterimol/B2: 3.71491  Sterimol/B3: 3.80484
  Sterimol/B4: 4.12375  Sterimol/L: 14.4842 
 
 Surface and Volume Properties
  Accessible surface: 454.611  Positive charged surface: 159.742  Negative charged surface: 294.869  Volume: 216.5
  Hydrophobic surface: 241.06  Hydrophilic surface: 213.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.