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PUBCHEM-ZINC01852174

 MMsINC code: MMs02826230
Type: Neutral
Formula: C15H27N4O3+
SMILES:   O=C1N(C)C(=O)N(CCCC)C(C)=C1NC(=O)C[N+](C)(C)C
InChI:   InChI=1/C15H26N4O3/c1-7-8-9-18-11(2)13(14(21)17(3)15(18)22)16-12(20)10-19(4,5)6/h7-10H2,1-6H3/p+1

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Potential Energy
Epot(MMFF94)=93.9125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.406 g/mol  logS: -1.55706  SlogP: 0.7344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0991054  Sterimol/B1: 2.2144  Sterimol/B2: 2.35299  Sterimol/B3: 5.69913
  Sterimol/B4: 8.47437  Sterimol/L: 15.7708 
 
 Surface and Volume Properties
  Accessible surface: 576.046  Positive charged surface: 477.56  Negative charged surface: 98.4861  Volume: 310.875
  Hydrophobic surface: 421.677  Hydrophilic surface: 154.369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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.