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CHEMBRIDGE-ZINC00369580

 MMsINC code: MMs00610756
Type: Neutral
Formula: C14H9Cl2N3OS
SMILES:   Clc1cc(NC(=O)Nc2sc3cc(Cl)ccc3n2)ccc1
InChI:   InChI=1/C14H9Cl2N3OS/c15-8-2-1-3-10(6-8)17-13(20)19-14-18-11-5-4-9(16)7-12(11)21-14/h1-7H,(H2,17,18,19,20)

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Potential Energy
Epot(MMFF94)=41.4554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.218 g/mol  logS: -6.00748  SlogP: 5.2471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0120005  Sterimol/B1: 2.16301  Sterimol/B2: 2.59871  Sterimol/B3: 3.78193
  Sterimol/B4: 5.28069  Sterimol/L: 18.2737 
 
 Surface and Volume Properties
  Accessible surface: 538.288  Positive charged surface: 224.434  Negative charged surface: 313.854  Volume: 275.25
  Hydrophobic surface: 442.06  Hydrophilic surface: 96.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.