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NCID-ZINC01863425

 MMsINC code: MMs02374534
Type: Neutral
Formula: C7H7FN2O2S2
SMILES:   S(=O)(=O)(NC(=S)N)c1ccc(F)cc1
InChI:   InChI=1/C7H7FN2O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,(H3,9,10,13)

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Potential Energy
Epot(MMFF94)=20.8852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.275 g/mol  logS: -2.90575  SlogP: 0.3476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17902  Sterimol/B1: 2.25063  Sterimol/B2: 3.52004  Sterimol/B3: 4.92398
  Sterimol/B4: 4.92971  Sterimol/L: 10.9692 
 
 Surface and Volume Properties
  Accessible surface: 371.78  Positive charged surface: 164.323  Negative charged surface: 207.458  Volume: 176
  Hydrophobic surface: 172.76  Hydrophilic surface: 199.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.