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NCID-ZINC01559006

 MMsINC code: MMs02221875
Type: Neutral
Formula: C10H13N3O4
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CN(C(=O)C)C
InChI:   InChI=1/C10H13N3O4/c1-6(14)11(2)5-7-8(15)12(3)10(17)13(4)9(7)16/h5H,1-4H3

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Potential Energy
Epot(MMFF94)=77.7698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.231 g/mol  logS: -0.67191  SlogP: -0.601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0658708  Sterimol/B1: 2.18381  Sterimol/B2: 3.99421  Sterimol/B3: 4.04783
  Sterimol/B4: 5.05948  Sterimol/L: 12.5516 
 
 Surface and Volume Properties
  Accessible surface: 422.784  Positive charged surface: 311.846  Negative charged surface: 110.938  Volume: 211.375
  Hydrophobic surface: 296.976  Hydrophilic surface: 125.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.