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CHEMDIV-ZINC04008338

 MMsINC code: MMs00922666
Type: Neutral
Formula: C11H16N4O4
SMILES:   O1CCN(CC1)c1nc(C)c([N+](=O)[O-])c(OCC)n1
InChI:   InChI=1/C11H16N4O4/c1-3-19-10-9(15(16)17)8(2)12-11(13-10)14-4-6-18-7-5-14/h3-7H2,1-2H3

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Potential Energy
Epot(MMFF94)=75.5663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.273 g/mol  logS: -2.90084  SlogP: 0.92852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.064797  Sterimol/B1: 2.5278  Sterimol/B2: 2.87441  Sterimol/B3: 3.24948
  Sterimol/B4: 8.9584  Sterimol/L: 12.1482 
 
 Surface and Volume Properties
  Accessible surface: 488.375  Positive charged surface: 344.456  Negative charged surface: 143.919  Volume: 238.875
  Hydrophobic surface: 339.955  Hydrophilic surface: 148.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.