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


PUBCHEM-ZINC03611101

 MMsINC code: MMs03021989
Type: Neutral
Formula: C14H23N
SMILES:   N(C(Cc1ccc(cc1)CCCC)C)C
InChI:   InChI=1/C14H23N/c1-4-5-6-13-7-9-14(10-8-13)11-12(2)15-3/h7-10,12,15H,4-6,11H2,1-3H3/t12-/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)=32.2601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.345 g/mol  logS: -3.53364  SlogP: 3.17954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625557  Sterimol/B1: 2.95449  Sterimol/B2: 3.34042  Sterimol/B3: 3.93717
  Sterimol/B4: 4.85454  Sterimol/L: 15.9257 
 
 Surface and Volume Properties
  Accessible surface: 492.461  Positive charged surface: 368.707  Negative charged surface: 123.754  Volume: 245.625
  Hydrophobic surface: 432.709  Hydrophilic surface: 59.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03021990
PUBCHEM-ZINC03611101