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ASINEX-ZINC00209035

 MMsINC code: MMs00092743
Type: Neutral
Formula: C14H23N7
SMILES:   n1c(nc(nc1NC(C)C)-n1nc(cc1C)C)NC(C)C
InChI:   InChI=1/C14H23N7/c1-8(2)15-12-17-13(16-9(3)4)19-14(18-12)21-11(6)7-10(5)20-21/h7-9H,1-6H3,(H2,15,16,17,18,19)

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Potential Energy
Epot(MMFF94)=-12.4367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.387 g/mol  logS: -3.93787  SlogP: 2.31474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628014  Sterimol/B1: 3.37296  Sterimol/B2: 3.46529  Sterimol/B3: 4.4197
  Sterimol/B4: 7.53795  Sterimol/L: 14.2471 
 
 Surface and Volume Properties
  Accessible surface: 579.181  Positive charged surface: 407.712  Negative charged surface: 171.468  Volume: 296.875
  Hydrophobic surface: 401.676  Hydrophilic surface: 177.505
 
 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.