logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC03617515

 MMsINC code: MMs03023521
Type: Ionized
Formula: C14H26N2+2
SMILES:   [NH2+](C(Cc1ccc(cc1)CC([NH2+]C)C)C)C
InChI:   InChI=1/C14H24N2/c1-11(15-3)9-13-5-7-14(8-6-13)10-12(2)16-4/h5-8,11-12,15-16H,9-10H2,1-4H3/p+2/t11-,12-/m1/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=45.6193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.376 g/mol  logS: -1.59446  SlogP: -0.06506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0748949  Sterimol/B1: 2.97692  Sterimol/B2: 3.12021  Sterimol/B3: 4.17171
  Sterimol/B4: 5.44827  Sterimol/L: 14.6904 
 
 Surface and Volume Properties
  Accessible surface: 511.449  Positive charged surface: 416.678  Negative charged surface: 94.7709  Volume: 265.375
  Hydrophobic surface: 387.383  Hydrophilic surface: 124.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   
Parent related molecule:


MMs03023520
PUBCHEM-ZINC03617515