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CHEMSTAR-ZINC04112958

 MMsINC code: MMs01105675
Type: Neutral
Formula: C5H7N5O4
SMILES:   O=C1N(C)C(=O)NC(NN)=C1[N+](=O)[O-]
InChI:   InChI=1/C5H7N5O4/c1-9-4(11)2(10(13)14)3(8-6)7-5(9)12/h8H,6H2,1H3,(H,7,12)

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Potential Energy
Epot(MMFF94)=21.2209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.142 g/mol  logS: -1.15937  SlogP: -1.9229  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.016524  Sterimol/B1: 2.07603  Sterimol/B2: 2.50797  Sterimol/B3: 3.88447
  Sterimol/B4: 5.48345  Sterimol/L: 10.5417 
 
 Surface and Volume Properties
  Accessible surface: 342.377  Positive charged surface: 199.812  Negative charged surface: 142.565  Volume: 150
  Hydrophobic surface: 75.4877  Hydrophilic surface: 266.8893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.