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IFLAB-ZINC00940818

 MMsINC code: MMs01981144
Type: Neutral
Formula: C10H10INOS3
SMILES:   Ic1ccc(NC(=O)C2SCSCS2)cc1
InChI:   InChI=1/C10H10INOS3/c11-7-1-3-8(4-2-7)12-9(13)10-15-5-14-6-16-10/h1-4,10H,5-6H2,(H,12,13)

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Potential Energy
Epot(MMFF94)=51.9843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.298 g/mol  logS: -4.9947  SlogP: 3.684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0363765  Sterimol/B1: 2.81422  Sterimol/B2: 2.93687  Sterimol/B3: 3.23362
  Sterimol/B4: 4.67277  Sterimol/L: 16.1333 
 
 Surface and Volume Properties
  Accessible surface: 488.249  Positive charged surface: 201.531  Negative charged surface: 286.718  Volume: 252.875
  Hydrophobic surface: 323.97  Hydrophilic surface: 164.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.