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PUBCHEM-ZINC05844077

 MMsINC code: MMs03412457
Type: Neutral
Formula: C11H13N3O3
SMILES:   O=C(N=NC(CC)=C)c1cc(N(O)O)ccc1
InChI:   InChI=1/C11H13N3O3/c1-3-8(2)12-13-11(15)9-5-4-6-10(7-9)14(16)17/h4-7,16-17H,2-3H2,1H3/b13-12+

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Potential Energy
Epot(MMFF94)=64.4082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.243 g/mol  logS: -1.88374  SlogP: 2.7875  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0180262  Sterimol/B1: 2.15274  Sterimol/B2: 2.99409  Sterimol/B3: 3.52249
  Sterimol/B4: 5.60729  Sterimol/L: 15.8751 
 
 Surface and Volume Properties
  Accessible surface: 473.177  Positive charged surface: 262.153  Negative charged surface: 211.024  Volume: 223.125
  Hydrophobic surface: 274.674  Hydrophilic surface: 198.503
 
 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.