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PUBCHEM-ZINC06974225

 MMsINC code: MMs03908328
Type: Neutral
Formula: C17H29N7O2+2
SMILES:   O=C1N(C)C(=O)N(C=2NC(=[N+]3CCCCC3)N(C1=2)CCNC=[N+](C)C)C
InChI:   InChI=1/C17H27N7O2/c1-20(2)12-18-8-11-24-13-14(21(3)17(26)22(4)15(13)25)19-16(24)23-9-6-5-7-10-23/h12H,5-11H2,1-4H3/p+2

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Potential Energy
Epot(MMFF94)=48.6169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.466 g/mol  logS: -1.4298  SlogP: -0.9731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104087  Sterimol/B1: 3.0272  Sterimol/B2: 4.45084  Sterimol/B3: 5.63427
  Sterimol/B4: 8.77399  Sterimol/L: 15.7774 
 
 Surface and Volume Properties
  Accessible surface: 650.622  Positive charged surface: 584.886  Negative charged surface: 65.7357  Volume: 355.625
  Hydrophobic surface: 488.14  Hydrophilic surface: 162.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 5
  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.