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


PUBCHEM-ZINC03617516

 MMsINC code: MMs03023522
Type: Neutral
Formula: C14H24N2
SMILES:   N(C(Cc1ccc(cc1)CC(NC)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/t11-,12-/m0/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)=45.7407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.36 g/mol  logS: -1.64324  SlogP: 1.98734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0937817  Sterimol/B1: 2.86944  Sterimol/B2: 3.49122  Sterimol/B3: 3.74452
  Sterimol/B4: 4.82614  Sterimol/L: 14.6355 
 
 Surface and Volume Properties
  Accessible surface: 493.033  Positive charged surface: 382.634  Negative charged surface: 110.398  Volume: 256.875
  Hydrophobic surface: 432.74  Hydrophilic surface: 60.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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:  
   

Ions/Tautomers related molecules


MMs03023523
PUBCHEM-ZINC03617516