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CHEMBRIDGE-ZINC02900479

 MMsINC code: MMs00738839
Type: Neutral
Formula: C9H5F7N2O2S
SMILES:   s1cccc1C(=O)NNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChI:   InChI=1/C9H5F7N2O2S/c10-7(11,8(12,13)9(14,15)16)6(20)18-17-5(19)4-2-1-3-21-4/h1-3H,(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=68.3544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.203 g/mol  logS: -4.11184  SlogP: 3.6017  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0211095  Sterimol/B1: 2.91625  Sterimol/B2: 3.20687  Sterimol/B3: 3.67623
  Sterimol/B4: 3.78412  Sterimol/L: 15.8005 
 
 Surface and Volume Properties
  Accessible surface: 465.428  Positive charged surface: 109.506  Negative charged surface: 355.922  Volume: 217
  Hydrophobic surface: 171.904  Hydrophilic surface: 293.524
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.