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CHEMBRIDGE-ZINC00625029

 MMsINC code: MMs00636711
Type: Neutral
Formula: C18H14N6OS2
SMILES:   s1ccnc1NC(=O)c1ccc(cc1)CSc1nnnn1-c1ccccc1
InChI:   InChI=1/C18H14N6OS2/c25-16(20-17-19-10-11-26-17)14-8-6-13(7-9-14)12-27-18-21-22-23-24(18)15-4-2-1-3-5-15/h1-11H,12H2,(H,19,20,25)

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Potential Energy
Epot(MMFF94)=100.575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.483 g/mol  logS: -5.88573  SlogP: 3.9298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466708  Sterimol/B1: 2.53076  Sterimol/B2: 3.65754  Sterimol/B3: 3.81172
  Sterimol/B4: 7.98826  Sterimol/L: 20.0077 
 
 Surface and Volume Properties
  Accessible surface: 642.53  Positive charged surface: 304.546  Negative charged surface: 304.342  Volume: 345.875
  Hydrophobic surface: 501.175  Hydrophilic surface: 141.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.