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IFLAB-ZINC00309109

 MMsINC code: MMs01978169
Type: Neutral
Formula: C11H10N2O2S3
SMILES:   s1cccc1S(=O)(=O)NC(=S)Nc1ccccc1
InChI:   InChI=1/C11H10N2O2S3/c14-18(15,10-7-4-8-17-10)13-11(16)12-9-5-2-1-3-6-9/h1-8H,(H2,12,13,16)

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Potential Energy
Epot(MMFF94)=81.6367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.411 g/mol  logS: -4.47522  SlogP: 2.4234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129707  Sterimol/B1: 3.5723  Sterimol/B2: 3.89277  Sterimol/B3: 4.18275
  Sterimol/B4: 5.40278  Sterimol/L: 13.4528 
 
 Surface and Volume Properties
  Accessible surface: 468.68  Positive charged surface: 213.621  Negative charged surface: 255.06  Volume: 242.375
  Hydrophobic surface: 333.889  Hydrophilic surface: 134.791
 
 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.