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ENAMINE-ZINC05391695

 MMsINC code: MMs01609188
Type: Neutral
Formula: C18H19N5OS2
SMILES:   S(C)c1ccccc1NC(=O)CSc1nnnn1-c1c(cccc1C)C
InChI:   InChI=1/C18H19N5OS2/c1-12-7-6-8-13(2)17(12)23-18(20-21-22-23)26-11-16(24)19-14-9-4-5-10-15(14)25-3/h4-10H,11H2,1-3H3,(H,19,24)

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Potential Energy
Epot(MMFF94)=128.643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.516 g/mol  logS: -6.01524  SlogP: 3.73184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0716463  Sterimol/B1: 2.34336  Sterimol/B2: 4.48542  Sterimol/B3: 5.81767
  Sterimol/B4: 6.63377  Sterimol/L: 17.5731 
 
 Surface and Volume Properties
  Accessible surface: 642.415  Positive charged surface: 324.657  Negative charged surface: 284.645  Volume: 351.625
  Hydrophobic surface: 520.294  Hydrophilic surface: 122.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.