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ENAMINE-ZINC06938141

 MMsINC code: MMs01714084
Type: Neutral
Formula: C11H10N6O2
SMILES:   O=C(NCNC(=O)c1nccnc1)c1nccnc1
InChI:   InChI=1/C11H10N6O2/c18-10(8-5-12-1-3-14-8)16-7-17-11(19)9-6-13-2-4-15-9/h1-6H,7H2,(H,16,18)(H,17,19)

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Potential Energy
Epot(MMFF94)=68.4908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.241 g/mol  logS: 1.54974  SlogP: -0.6161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107147  Sterimol/B1: 2.10787  Sterimol/B2: 3.50026  Sterimol/B3: 4.02061
  Sterimol/B4: 5.66464  Sterimol/L: 15.3425 
 
 Surface and Volume Properties
  Accessible surface: 476.45  Positive charged surface: 379.927  Negative charged surface: 96.5231  Volume: 225.375
  Hydrophobic surface: 303.965  Hydrophilic surface: 172.485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.