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CHEMBRIDGE-ZINC01068782

 MMsINC code: MMs00657645
Type: Neutral
Formula: C14H10Cl2N4OS2
SMILES:   Clc1cnc(SCC)nc1C(=O)Nc1sc2cc(Cl)ccc2n1
InChI:   InChI=1/C14H10Cl2N4OS2/c1-2-22-13-17-6-8(16)11(19-13)12(21)20-14-18-9-4-3-7(15)5-10(9)23-14/h3-6H,2H2,1H3,(H,18,20,21)

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Potential Energy
Epot(MMFF94)=49.264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.299 g/mol  logS: -7.11643  SlogP: 4.7574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00392512  Sterimol/B1: 2.37491  Sterimol/B2: 2.37541  Sterimol/B3: 2.46902
  Sterimol/B4: 7.98052  Sterimol/L: 20.1014 
 
 Surface and Volume Properties
  Accessible surface: 593.852  Positive charged surface: 287.608  Negative charged surface: 306.244  Volume: 306.75
  Hydrophobic surface: 431.554  Hydrophilic surface: 162.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.