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NCID-ZINC05022983

 MMsINC code: MMs02429140
Type: Neutral
Formula: C11H14N2O2S2
SMILES:   S1C/C(=N\NS(=O)(=O)c2ccc(cc2)C)/CC1
InChI:   InChI=1/C11H14N2O2S2/c1-9-2-4-11(5-3-9)17(14,15)13-12-10-6-7-16-8-10/h2-5,13H,6-8H2,1H3/b12-10-

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Potential Energy
Epot(MMFF94)=72.4198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.377 g/mol  logS: -3.5401  SlogP: 1.76622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10903  Sterimol/B1: 2.64813  Sterimol/B2: 3.46586  Sterimol/B3: 4.66102
  Sterimol/B4: 6.8689  Sterimol/L: 14.0332 
 
 Surface and Volume Properties
  Accessible surface: 487.962  Positive charged surface: 273.869  Negative charged surface: 214.093  Volume: 237.75
  Hydrophobic surface: 349.453  Hydrophilic surface: 138.509
 
 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.