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ASINEX-ZINC02523008

 MMsINC code: MMs00274366
Type: Neutral
Formula: C14H22N4
SMILES:   n12nc(cc1N=C(C=C2N)C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C14H22N4/c1-13(2,3)9-7-11(15)18-12(16-9)8-10(17-18)14(4,5)6/h7-8H,15H2,1-6H3

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Potential Energy
Epot(MMFF94)=86.3639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.358 g/mol  logS: -2.48073  SlogP: 3.0699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789673  Sterimol/B1: 1.969  Sterimol/B2: 3.62329  Sterimol/B3: 3.62502
  Sterimol/B4: 7.23766  Sterimol/L: 13.9221 
 
 Surface and Volume Properties
  Accessible surface: 507.122  Positive charged surface: 348.255  Negative charged surface: 158.867  Volume: 264.125
  Hydrophobic surface: 330.982  Hydrophilic surface: 176.14
 
 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.