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IBS-ZINC01718979

 MMsINC code: MMs01771878
Type: Neutral
Formula: C6H7N3O4
SMILES:   O=C1NC(=O)NC(C(OC)=O)=C1N
InChI:   InChI=1/C6H7N3O4/c1-13-5(11)3-2(7)4(10)9-6(12)8-3/h7H2,1H3,(H2,8,9,10,12)

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Potential Energy
Epot(MMFF94)=17.8012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.139 g/mol  logS: -0.87693  SlogP: -1.8309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0134829  Sterimol/B1: 2.31799  Sterimol/B2: 2.42393  Sterimol/B3: 4.23979
  Sterimol/B4: 4.63886  Sterimol/L: 10.816 
 
 Surface and Volume Properties
  Accessible surface: 344.53  Positive charged surface: 240.541  Negative charged surface: 103.989  Volume: 146.875
  Hydrophobic surface: 109.965  Hydrophilic surface: 234.565
 
 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.