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ASINEX-ZINC00275518

 MMsINC code: MMs00105845
Type: Neutral
Formula: C11H12N4O
SMILES:   Oc1ccccc1-c1nc(cc(n1)NN)C
InChI:   InChI=1/C11H12N4O/c1-7-6-10(15-12)14-11(13-7)8-4-2-3-5-9(8)16/h2-6,16H,12H2,1H3,(H,13,14,15)

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Potential Energy
Epot(MMFF94)=60.553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.244 g/mol  logS: -2.93691  SlogP: 1.44322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133282  Sterimol/B1: 2.15875  Sterimol/B2: 2.20797  Sterimol/B3: 2.51151
  Sterimol/B4: 8.19538  Sterimol/L: 12.0588 
 
 Surface and Volume Properties
  Accessible surface: 427.174  Positive charged surface: 278.257  Negative charged surface: 143.607  Volume: 207.125
  Hydrophobic surface: 282.707  Hydrophilic surface: 144.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.