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ASINEX-ZINC00278572

 MMsINC code: MMs00106640
Type: Neutral
Formula: C15H27N5O
SMILES:   O(CC)c1nc(nc(n1)NC(C)(C)C)NC1CCCCC1
InChI:   InChI=1/C15H27N5O/c1-5-21-14-18-12(16-11-9-7-6-8-10-11)17-13(19-14)20-15(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,18,19,20)

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Potential Energy
Epot(MMFF94)=-37.4174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.415 g/mol  logS: -4.6787  SlogP: 3.2253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0692441  Sterimol/B1: 1.969  Sterimol/B2: 3.31762  Sterimol/B3: 3.92658
  Sterimol/B4: 8.81596  Sterimol/L: 16.0959 
 
 Surface and Volume Properties
  Accessible surface: 575.939  Positive charged surface: 442.036  Negative charged surface: 133.903  Volume: 306.5
  Hydrophobic surface: 413.203  Hydrophilic surface: 162.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.