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PUBCHEM-ZINC06191623

 MMsINC code: MMs03591669
Type: Neutral
Formula: C14H12N4O4S
SMILES:   s1cccc1C(=O)N\C(=C/c1cc(N(O)O)ccc1)\C(=O)N=N
InChI:   InChI=1/C14H12N4O4S/c15-17-13(19)11(16-14(20)12-5-2-6-23-12)8-9-3-1-4-10(7-9)18(21)22/h1-8,15,21-22H,(H,16,20)/b11-8-,17-15+

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Potential Energy
Epot(MMFF94)=141.242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.34 g/mol  logS: -3.53733  SlogP: 2.66137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310505  Sterimol/B1: 2.49847  Sterimol/B2: 3.59049  Sterimol/B3: 3.87309
  Sterimol/B4: 9.40427  Sterimol/L: 14.7873 
 
 Surface and Volume Properties
  Accessible surface: 538.469  Positive charged surface: 248.654  Negative charged surface: 289.815  Volume: 279.5
  Hydrophobic surface: 297.89  Hydrophilic surface: 240.579
 
 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.