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OTAVA-ZINC01266351

 MMsINC code: MMs02559851
Type: Neutral
Formula: C16H11FN2O2S3
SMILES:   S1\C(=C/c2sccc2)\C(=O)N(CC(=O)Nc2ccc(F)cc2)C1=S
InChI:   InChI=1/C16H11FN2O2S3/c17-10-3-5-11(6-4-10)18-14(20)9-19-15(21)13(24-16(19)22)8-12-2-1-7-23-12/h1-8H,9H2,(H,18,20)/b13-8-

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Potential Energy
Epot(MMFF94)=84.4504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.472 g/mol  logS: -6.33603  SlogP: 3.7271  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713302  Sterimol/B1: 3.10991  Sterimol/B2: 3.38019  Sterimol/B3: 5.35416
  Sterimol/B4: 6.03937  Sterimol/L: 17.6165 
 
 Surface and Volume Properties
  Accessible surface: 579.358  Positive charged surface: 240.723  Negative charged surface: 338.634  Volume: 309.75
  Hydrophobic surface: 412.49  Hydrophilic surface: 166.868
 
 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.