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ENAMINE-ZINC04174241

 MMsINC code: MMs01532440
Type: Neutral
Formula: C16H12F3NO5S
SMILES:   S(OCC(F)(F)F)(=O)(=O)CCN1C(=O)c2c3c(cccc3ccc2)C1=O
InChI:   InChI=1/C16H12F3NO5S/c17-16(18,19)9-25-26(23,24)8-7-20-14(21)11-5-1-3-10-4-2-6-12(13(10)11)15(20)22/h1-6H,7-9H2

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Potential Energy
Epot(MMFF94)=57.3765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.334 g/mol  logS: -5.26133  SlogP: 2.7644  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0921281  Sterimol/B1: 2.76412  Sterimol/B2: 3.32328  Sterimol/B3: 4.81025
  Sterimol/B4: 7.14043  Sterimol/L: 15.9307 
 
 Surface and Volume Properties
  Accessible surface: 558.22  Positive charged surface: 220.462  Negative charged surface: 326.687  Volume: 296.125
  Hydrophobic surface: 311.913  Hydrophilic surface: 246.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.