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ENAMINE-ZINC03323336

 MMsINC code: MMs01371475
Type: Neutral
Formula: C18H14ClN3O2S
SMILES:   Clc1ccccc1-c1nc(sc1)NC(=O)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C18H14ClN3O2S/c1-11(23)20-13-8-6-12(7-9-13)17(24)22-18-21-16(10-25-18)14-4-2-3-5-15(14)19/h2-10H,1H3,(H,20,23)(H,21,22,24)

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Potential Energy
Epot(MMFF94)=87.1817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.848 g/mol  logS: -6.16516  SlogP: 4.6742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017164  Sterimol/B1: 2.66463  Sterimol/B2: 2.73434  Sterimol/B3: 4.37296
  Sterimol/B4: 6.45539  Sterimol/L: 19.8598 
 
 Surface and Volume Properties
  Accessible surface: 610.272  Positive charged surface: 297.895  Negative charged surface: 312.377  Volume: 325.875
  Hydrophobic surface: 502.273  Hydrophilic surface: 107.999
 
 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.