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ENAMINE-ZINC06786087

 MMsINC code: MMs01696454
Type: Neutral
Formula: C16H12ClN3O2S2
SMILES:   Clc1ccc(cc1NC(=O)c1sccc1)C(=O)Nc1sc(cn1)C
InChI:   InChI=1/C16H12ClN3O2S2/c1-9-8-18-16(24-9)20-14(21)10-4-5-11(17)12(7-10)19-15(22)13-3-2-6-23-13/h2-8H,1H3,(H,19,22)(H,18,20,21)

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Potential Energy
Epot(MMFF94)=74.0583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.876 g/mol  logS: -5.65058  SlogP: 4.67102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0073862  Sterimol/B1: 2.54408  Sterimol/B2: 2.86619  Sterimol/B3: 3.45904
  Sterimol/B4: 7.29371  Sterimol/L: 19.5423 
 
 Surface and Volume Properties
  Accessible surface: 603.011  Positive charged surface: 271.785  Negative charged surface: 331.226  Volume: 314.375
  Hydrophobic surface: 506.286  Hydrophilic surface: 96.725
 
 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.