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


PUBCHEM-ZINC03733252

 MMsINC code: MMs03062048
Type: Neutral
Formula: C14H21N
SMILES:   N1CCC(CC)C1c1cc(cc(c1)C)C
InChI:   InChI=1/C14H21N/c1-4-12-5-6-15-14(12)13-8-10(2)7-11(3)9-13/h7-9,12,14-15H,4-6H2,1-3H3/t12-,14+/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)=49.0151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.329 g/mol  logS: -3.34259  SlogP: 3.45954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.312452  Sterimol/B1: 2.41155  Sterimol/B2: 3.41291  Sterimol/B3: 5.84497
  Sterimol/B4: 6.70198  Sterimol/L: 11.4097 
 
 Surface and Volume Properties
  Accessible surface: 451.974  Positive charged surface: 338.185  Negative charged surface: 113.788  Volume: 232.125
  Hydrophobic surface: 402.441  Hydrophilic surface: 49.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs03062049
PUBCHEM-ZINC03733252