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TOSLAB-ZINC04477404

 MMsINC code: MMs03948707
Type: Neutral
Formula: C10H10N6O2
SMILES:   OC(=O)c1cc(NN=C2C(NNC2=N)=N)ccc1
InChI:   InChI=1/C10H10N6O2/c11-8-7(9(12)16-15-8)14-13-6-3-1-2-5(4-6)10(17)18/h1-4,13H,(H,17,18)(H4,11,12,14,15,16)

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Potential Energy
Epot(MMFF94)=122.041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.23 g/mol  logS: -2.51463  SlogP: 0.21504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00370088  Sterimol/B1: 2.097  Sterimol/B2: 2.44612  Sterimol/B3: 2.53984
  Sterimol/B4: 6.25642  Sterimol/L: 14.8589 
 
 Surface and Volume Properties
  Accessible surface: 444.537  Positive charged surface: 257.108  Negative charged surface: 187.428  Volume: 210.625
  Hydrophobic surface: 134.112  Hydrophilic surface: 310.425
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03948708
TOSLAB-ZINC04477404