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PUBCHEM-ZINC00493199

 MMsINC code: MMs02692787
Type: Neutral
Formula: C14H12F2N4S2
SMILES:   S=C(Nc1ccc(F)cc1)NNC(=S)Nc1ccc(F)cc1
InChI:   InChI=1/C14H12F2N4S2/c15-9-1-5-11(6-2-9)17-13(21)19-20-14(22)18-12-7-3-10(16)4-8-12/h1-8H,(H2,17,19,21)(H2,18,20,22)

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Potential Energy
Epot(MMFF94)=124.139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.406 g/mol  logS: -6.03786  SlogP: 3.1528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0330229  Sterimol/B1: 2.30018  Sterimol/B2: 3.83623  Sterimol/B3: 3.93547
  Sterimol/B4: 5.38023  Sterimol/L: 18.7678 
 
 Surface and Volume Properties
  Accessible surface: 557.215  Positive charged surface: 235.716  Negative charged surface: 321.499  Volume: 285.125
  Hydrophobic surface: 376.101  Hydrophilic surface: 181.114
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.