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IBS-ZINC04825636

 MMsINC code: MMs01899069
Type: Neutral
Formula: C6H7N3O4
SMILES:   O=C1NC(=O)NC(=O)C1NC(=O)C
InChI:   InChI=1/C6H7N3O4/c1-2(10)7-3-4(11)8-6(13)9-5(3)12/h3H,1H3,(H,7,10)(H2,8,9,11,12,13)

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Potential Energy
Epot(MMFF94)=-2.36413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.139 g/mol  logS: -0.70772  SlogP: -2.1429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.09478  Sterimol/B1: 2.50608  Sterimol/B2: 3.67794  Sterimol/B3: 4.03471
  Sterimol/B4: 4.12846  Sterimol/L: 11.3461 
 
 Surface and Volume Properties
  Accessible surface: 341.491  Positive charged surface: 192.166  Negative charged surface: 149.325  Volume: 145.75
  Hydrophobic surface: 99.6018  Hydrophilic surface: 241.8892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.