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NCID-ZINC04429325

 MMsINC code: MMs02387355
Type: Neutral
Formula: C22H44N4+2
SMILES:   [NH2+]=C(NC1CCCCC1)CCCCCCCCC(=[NH2+])NC1CCCCC1
InChI:   InChI=1/C22H42N4/c23-21(25-19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(24)26-20-15-9-6-10-16-20/h19-20H,1-18H2,(H2,23,25)(H2,24,26)/p+2

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Potential Energy
Epot(MMFF94)=-9.79208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.622 g/mol  logS: -5.45896  SlogP: 2.267  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0160109  Sterimol/B1: 2.99576  Sterimol/B2: 3.03834  Sterimol/B3: 3.20926
  Sterimol/B4: 5.75417  Sterimol/L: 25.591 
 
 Surface and Volume Properties
  Accessible surface: 778.547  Positive charged surface: 671.386  Negative charged surface: 107.161  Volume: 413.875
  Hydrophobic surface: 659.533  Hydrophilic surface: 119.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 4
  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


MMs02387356
NCID-ZINC04429325