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


PUBCHEM-ZINC03611095

 MMsINC code: MMs03021981
Type: Neutral
Formula: C15H25N
SMILES:   NC(Cc1ccc(cc1)CCCCCC)C
InChI:   InChI=1/C15H25N/c1-3-4-5-6-7-14-8-10-15(11-9-14)12-13(2)16/h8-11,13H,3-7,12,16H2,1-2H3/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)=28.5543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.372 g/mol  logS: -4.4885  SlogP: 3.69904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423561  Sterimol/B1: 2.39446  Sterimol/B2: 3.40497  Sterimol/B3: 3.91119
  Sterimol/B4: 4.46511  Sterimol/L: 18.3766 
 
 Surface and Volume Properties
  Accessible surface: 525.665  Positive charged surface: 388.628  Negative charged surface: 137.037  Volume: 261.75
  Hydrophobic surface: 433.466  Hydrophilic surface: 92.199
 
 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


MMs03021982
PUBCHEM-ZINC03611095