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PUBCHEM-ZINC02576758

 MMsINC code: MMs02903666
Type: Neutral
Formula: C7H10N4O3
SMILES:   O=C1N(C)C(=O)NC(N)=C1N(C=O)C
InChI:   InChI=1/C7H10N4O3/c1-10(3-12)4-5(8)9-7(14)11(2)6(4)13/h3H,8H2,1-2H3,(H,9,14)

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Potential Energy
Epot(MMFF94)=19.4651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.182 g/mol  logS: -0.38159  SlogP: -1.616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115415  Sterimol/B1: 2.63443  Sterimol/B2: 3.18285  Sterimol/B3: 3.29366
  Sterimol/B4: 5.58884  Sterimol/L: 10.7715 
 
 Surface and Volume Properties
  Accessible surface: 367.91  Positive charged surface: 277.664  Negative charged surface: 90.2461  Volume: 170.25
  Hydrophobic surface: 161.207  Hydrophilic surface: 206.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.