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


PUBCHEM-ZINC00212421

 MMsINC code: MMs02640165
Type: Neutral
Formula: C17H26N2
SMILES:   N1(CCN(CC1)Cc1ccccc1)C1CC(CC1)C
InChI:   InChI=1/C17H26N2/c1-15-7-8-17(13-15)19-11-9-18(10-12-19)14-16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3/t15-,17-/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)=74.1517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.409 g/mol  logS: -2.7742  SlogP: 3.2592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652466  Sterimol/B1: 2.48291  Sterimol/B2: 3.32638  Sterimol/B3: 3.78092
  Sterimol/B4: 6.37503  Sterimol/L: 15.9086 
 
 Surface and Volume Properties
  Accessible surface: 525.864  Positive charged surface: 408.43  Negative charged surface: 117.434  Volume: 287.625
  Hydrophobic surface: 497.71  Hydrophilic surface: 28.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02640166
PUBCHEM-ZINC00212421