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ENAMINE-ZINC01465947

 MMsINC code: MMs01241278
Type: Neutral
Formula: C16H11FN2O3S2
SMILES:   S1\C(=C\c2oc(cc2)C)\C(=O)N(NC(=O)c2ccccc2F)C1=S
InChI:   InChI=1/C16H11FN2O3S2/c1-9-6-7-10(22-9)8-13-15(21)19(16(23)24-13)18-14(20)11-4-2-3-5-12(11)17/h2-8H,1H3,(H,18,20)/b13-8+

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Potential Energy
Epot(MMFF94)=87.6463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.405 g/mol  logS: -6.65028  SlogP: 3.27332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616998  Sterimol/B1: 2.16581  Sterimol/B2: 3.83945  Sterimol/B3: 3.94695
  Sterimol/B4: 9.56656  Sterimol/L: 15.5976 
 
 Surface and Volume Properties
  Accessible surface: 575.433  Positive charged surface: 252.396  Negative charged surface: 323.036  Volume: 301.125
  Hydrophobic surface: 411.599  Hydrophilic surface: 163.834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.