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ACROSORGANICS-ZINC04261830

 MMsINC code: MMs00016910
Type: Ionized
Formula: C5H2N3O6-
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)/p-1

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Potential Energy
Epot(MMFF94)=-8.83943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.086 g/mol  logS: -1.7944  SlogP: -2.936  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0461943  Sterimol/B1: 2.91396  Sterimol/B2: 2.91522  Sterimol/B3: 3.78575
  Sterimol/B4: 5.33327  Sterimol/L: 9.45561 
 
 Surface and Volume Properties
  Accessible surface: 318.612  Positive charged surface: 105.035  Negative charged surface: 213.577  Volume: 134.625
  Hydrophobic surface: 8.17926  Hydrophilic surface: 310.43274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00016909
ACROSORGANICS-ZINC04261830