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ASINEX-ZINC04965903

 MMsINC code: MMs00414825
Type: Neutral
Formula: C15H24N4O
SMILES:   O=C(NC(CC)(C)C)C1CCN(CC1)c1ncccn1
InChI:   InChI=1/C15H24N4O/c1-4-15(2,3)18-13(20)12-6-10-19(11-7-12)14-16-8-5-9-17-14/h5,8-9,12H,4,6-7,10-11H2,1-3H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=66.9946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.384 g/mol  logS: -2.48172  SlogP: 1.9978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.044956  Sterimol/B1: 2.96901  Sterimol/B2: 3.04538  Sterimol/B3: 3.79648
  Sterimol/B4: 4.94667  Sterimol/L: 17.4613 
 
 Surface and Volume Properties
  Accessible surface: 528.36  Positive charged surface: 417.873  Negative charged surface: 110.487  Volume: 286.25
  Hydrophobic surface: 422.17  Hydrophilic surface: 106.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.