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ACROSORGANICS-ZINC04261830

 MMsINC code: MMs00016909
Type: Neutral
Formula: C5H3N3O6
SMILES:   O=C1NC(=O)NC(C(O)=O)=C1[N+](=O)[O-]
InChI:   InChI=1/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12)

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Potential Energy
Epot(MMFF94)=-2.34615 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.094 g/mol  logS: -1.53395  SlogP: -1.6013  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.050139  Sterimol/B1: 2.7316  Sterimol/B2: 2.99562  Sterimol/B3: 4.06887
  Sterimol/B4: 4.70385  Sterimol/L: 9.41026 
 
 Surface and Volume Properties
  Accessible surface: 318.187  Positive charged surface: 134.801  Negative charged surface: 183.386  Volume: 133.625
  Hydrophobic surface: 5.91546  Hydrophilic surface: 312.27154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00016910
ACROSORGANICS-ZINC04261830