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CHEMBLOCK-ZINC06658151

 MMsINC code: MMs00581636
Type: Neutral
Formula: C11H11N3O3
SMILES:   o1nc(cc1C(=O)NN)-c1ccc(OC)cc1
InChI:   InChI=1/C11H11N3O3/c1-16-8-4-2-7(3-5-8)9-6-10(17-14-9)11(15)13-12/h2-6H,12H2,1H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=85.9039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.227 g/mol  logS: -2.86176  SlogP: 0.9537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00456204  Sterimol/B1: 2.36119  Sterimol/B2: 2.38873  Sterimol/B3: 2.70779
  Sterimol/B4: 5.05317  Sterimol/L: 16.6326 
 
 Surface and Volume Properties
  Accessible surface: 447.365  Positive charged surface: 279.005  Negative charged surface: 168.36  Volume: 210.75
  Hydrophobic surface: 270.024  Hydrophilic surface: 177.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.