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ASINEX-ZINC01083170

 MMsINC code: MMs00228594
Type: Neutral
Formula: C15H8F3NO3S
SMILES:   S1\C(=C\c2oc(cc2)-c2cc(ccc2)C(F)(F)F)\C(=O)NC1=O
InChI:   InChI=1/C15H8F3NO3S/c16-15(17,18)9-3-1-2-8(6-9)11-5-4-10(22-11)7-12-13(20)19-14(21)23-12/h1-7H,(H,19,20,21)/b12-7+

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Potential Energy
Epot(MMFF94)=56.7563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.293 g/mol  logS: -6.29396  SlogP: 4.6008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0113771  Sterimol/B1: 2.57299  Sterimol/B2: 2.64179  Sterimol/B3: 4.5068
  Sterimol/B4: 5.72994  Sterimol/L: 14.0827 
 
 Surface and Volume Properties
  Accessible surface: 515.265  Positive charged surface: 196.387  Negative charged surface: 318.878  Volume: 262.375
  Hydrophobic surface: 251.47  Hydrophilic surface: 263.795
 
 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.