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


PUBCHEM-ZINC01842983

 MMsINC code: MMs02822367
Type: Neutral
Formula: C15H25N
SMILES:   N(C(Cc1ccc(cc1)CCCCC)C)C
InChI:   InChI=1/C15H25N/c1-4-5-6-7-14-8-10-15(11-9-14)12-13(2)16-3/h8-11,13,16H,4-7,12H2,1-3H3/t13-/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)=32.2671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.372 g/mol  logS: -4.04886  SlogP: 3.56964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496939  Sterimol/B1: 3.29043  Sterimol/B2: 3.5915  Sterimol/B3: 3.78876
  Sterimol/B4: 4.41457  Sterimol/L: 17.0758 
 
 Surface and Volume Properties
  Accessible surface: 519.796  Positive charged surface: 398.531  Negative charged surface: 121.265  Volume: 264.5
  Hydrophobic surface: 462.349  Hydrophilic surface: 57.447
 
 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


MMs02822368
PUBCHEM-ZINC01842983