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PUBCHEM-ZINC02690019

 MMsINC code: MMs02910187
Type: Neutral
Formula: C13H14N4O4S2
SMILES:   S(=O)(=O)(NN)c1cc2Cc3cc(S(=O)(=O)NN)ccc3-c2cc1
InChI:   InChI=1/C13H14N4O4S2/c14-16-22(18,19)10-1-3-12-8(6-10)5-9-7-11(2-4-13(9)12)23(20,21)17-15/h1-4,6-7,16-17H,5,14-15H2

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Potential Energy
Epot(MMFF94)=130.787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.411 g/mol  logS: -4.69522  SlogP: -0.43823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.059056  Sterimol/B1: 2.83509  Sterimol/B2: 2.89458  Sterimol/B3: 4.10686
  Sterimol/B4: 5.07441  Sterimol/L: 15.8202 
 
 Surface and Volume Properties
  Accessible surface: 543.717  Positive charged surface: 281.245  Negative charged surface: 250.67  Volume: 280.5
  Hydrophobic surface: 230.996  Hydrophilic surface: 312.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.