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CHEMBLOCK-ZINC00051728

 MMsINC code: MMs00489381
Type: Neutral
Formula: C11H11N3O2
SMILES:   O(c1ccccc1)c1nc(nc(OC)c1)N
InChI:   InChI=1/C11H11N3O2/c1-15-9-7-10(14-11(12)13-9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=1.70828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.228 g/mol  logS: -3.06597  SlogP: 1.8597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751728  Sterimol/B1: 3.39718  Sterimol/B2: 3.63688  Sterimol/B3: 3.65433
  Sterimol/B4: 4.79519  Sterimol/L: 14.3374 
 
 Surface and Volume Properties
  Accessible surface: 440.355  Positive charged surface: 309.401  Negative charged surface: 130.954  Volume: 204.875
  Hydrophobic surface: 327.46  Hydrophilic surface: 112.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.