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PUBCHEM-ZINC04988256

 MMsINC code: MMs03187940
Type: Neutral
Formula: C15H24N4
SMILES:   n1cccnc1N1CCN(CC1)CC1CCCCC1
InChI:   InChI=1/C15H24N4/c1-2-5-14(6-3-1)13-18-9-11-19(12-10-18)15-16-7-4-8-17-15/h4,7-8,14H,1-3,5-6,9-13H2

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Potential Energy
Epot(MMFF94)=74.1095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.385 g/mol  logS: -3.03799  SlogP: 2.1789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729062  Sterimol/B1: 3.26086  Sterimol/B2: 3.31493  Sterimol/B3: 3.67732
  Sterimol/B4: 5.09209  Sterimol/L: 16.1979 
 
 Surface and Volume Properties
  Accessible surface: 516.613  Positive charged surface: 448.618  Negative charged surface: 67.9955  Volume: 276.125
  Hydrophobic surface: 482.598  Hydrophilic surface: 34.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03187941
PUBCHEM-ZINC04988256