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ENAMINE-ZINC02621430

 MMsINC code: MMs01255625
Type: Neutral
Formula: C16H14Cl2N6OS
SMILES:   Clc1c(C)c(Cl)cnc1NC(=O)CSc1nnnn1-c1cc(ccc1)C
InChI:   InChI=1/C16H14Cl2N6OS/c1-9-4-3-5-11(6-9)24-16(21-22-23-24)26-8-13(25)20-15-14(18)10(2)12(17)7-19-15/h3-7H,8H2,1-2H3,(H,19,20,25)

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Potential Energy
Epot(MMFF94)=105.41 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.301 g/mol  logS: -5.82899  SlogP: 3.71174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0161493  Sterimol/B1: 2.51868  Sterimol/B2: 4.0703  Sterimol/B3: 4.14126
  Sterimol/B4: 6.33611  Sterimol/L: 19.6975 
 
 Surface and Volume Properties
  Accessible surface: 634.81  Positive charged surface: 287.882  Negative charged surface: 312.918  Volume: 339.75
  Hydrophobic surface: 516.104  Hydrophilic surface: 118.706
 
 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.