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ENAMINE-ZINC03486966

 MMsINC code: MMs01468927
Type: Neutral
Formula: C16H15N5O3S2
SMILES:   S(CC(=O)Nc1ccc(S(=O)(=O)N)cc1)c1nncn1-c1ccccc1
InChI:   InChI=1/C16H15N5O3S2/c17-26(23,24)14-8-6-12(7-9-14)19-15(22)10-25-16-20-18-11-21(16)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,22)(H2,17,23,24)

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Potential Energy
Epot(MMFF94)=74.2727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.46 g/mol  logS: -5.54743  SlogP: 1.6455  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0259345  Sterimol/B1: 2.47351  Sterimol/B2: 3.22943  Sterimol/B3: 3.35216
  Sterimol/B4: 7.74977  Sterimol/L: 19.1183 
 
 Surface and Volume Properties
  Accessible surface: 629.234  Positive charged surface: 329.23  Negative charged surface: 300.004  Volume: 328.5
  Hydrophobic surface: 382.252  Hydrophilic surface: 246.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01468928
ENAMINE-ZINC03486966