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NCID-ZINC01700556

 MMsINC code: MMs02330295
Type: Neutral
Formula: C14H26N7+
SMILES:   [NH+](CCCC(n1c2ncnc(NN)c2nc1)C)(CC)CC
InChI:   InChI=1/C14H25N7/c1-4-20(5-2)8-6-7-11(3)21-10-18-12-13(19-15)16-9-17-14(12)21/h9-11H,4-8,15H2,1-3H3,(H,16,17,19)/p+1/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=52.1644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.411 g/mol  logS: -2.63669  SlogP: 0.4733  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0807431  Sterimol/B1: 2.32362  Sterimol/B2: 3.72733  Sterimol/B3: 4.4407
  Sterimol/B4: 7.34596  Sterimol/L: 16.7454 
 
 Surface and Volume Properties
  Accessible surface: 577.802  Positive charged surface: 457.376  Negative charged surface: 120.426  Volume: 304
  Hydrophobic surface: 327.664  Hydrophilic surface: 250.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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


MMs02330296
NCID-ZINC01700556