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ASINEX-ZINC04836902

 MMsINC code: MMs00376258
Type: Neutral
Formula: C17H23N7O2
SMILES:   O(CCN(C#N)c1nc(nc(n1)N(C)C)N(C)C)c1ccccc1OC
InChI:   InChI=1/C17H23N7O2/c1-22(2)15-19-16(23(3)4)21-17(20-15)24(12-18)10-11-26-14-9-7-6-8-13(14)25-5/h6-9H,10-11H2,1-5H3

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Potential Energy
Epot(MMFF94)=-1.38353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.418 g/mol  logS: -4.36608  SlogP: 1.37868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106845  Sterimol/B1: 3.25437  Sterimol/B2: 3.32802  Sterimol/B3: 5.43295
  Sterimol/B4: 8.20633  Sterimol/L: 15.4231 
 
 Surface and Volume Properties
  Accessible surface: 651.517  Positive charged surface: 540.215  Negative charged surface: 111.302  Volume: 349.5
  Hydrophobic surface: 555.947  Hydrophilic surface: 95.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.