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NCID-ZINC01619288

 MMsINC code: MMs02267862
Type: Neutral
Formula: C6H7N3O3
SMILES:   O=C1NC(=O)NC(=C1)CC(=O)N
InChI:   InChI=1/C6H7N3O3/c7-4(10)1-3-2-5(11)9-6(12)8-3/h2H,1H2,(H2,7,10)(H2,8,9,11,12)

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Potential Energy
Epot(MMFF94)=-15.5512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.14 g/mol  logS: -0.87233  SlogP: -1.4149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0923671  Sterimol/B1: 2.69687  Sterimol/B2: 2.744  Sterimol/B3: 3.50689
  Sterimol/B4: 5.22427  Sterimol/L: 10.4832 
 
 Surface and Volume Properties
  Accessible surface: 329.153  Positive charged surface: 199.806  Negative charged surface: 129.347  Volume: 138.25
  Hydrophobic surface: 70.1164  Hydrophilic surface: 259.0366
 
 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.