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PUBCHEM-ZINC05830485

 MMsINC code: MMs03405269
Type: Neutral
Formula: C9H9N3O3
SMILES:   O=C(N=NC=C)c1cc(N(O)O)ccc1
InChI:   InChI=1/C9H9N3O3/c1-2-10-11-9(13)7-4-3-5-8(6-7)12(14)15/h2-6,14-15H,1H2/b11-10+

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Potential Energy
Epot(MMFF94)=59.8766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.189 g/mol  logS: -1.37581  SlogP: 2.0073  Reactive groups: 1
 
 Topological Properties
  Globularity: 6.99901e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.1049  Sterimol/B3: 3.32429
  Sterimol/B4: 5.24402  Sterimol/L: 15.2384 
 
 Surface and Volume Properties
  Accessible surface: 421.138  Positive charged surface: 225.709  Negative charged surface: 195.429  Volume: 186.375
  Hydrophobic surface: 237.703  Hydrophilic surface: 183.435
 
 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: no related molecules available.