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


PUBCHEM-ZINC04978482

 MMsINC code: MMs03187365
Type: Neutral
Formula: C15H22N2
SMILES:   N12CC(NC(C)c3ccccc3)C(CC1)CC2
InChI:   InChI=1/C15H22N2/c1-12(13-5-3-2-4-6-13)16-15-11-17-9-7-14(15)8-10-17/h2-6,12,14-16H,7-11H2,1H3/t12-,15+/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)=64.0451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.355 g/mol  logS: -2.12803  SlogP: 2.5269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13958  Sterimol/B1: 2.24493  Sterimol/B2: 2.26943  Sterimol/B3: 5.16415
  Sterimol/B4: 5.59047  Sterimol/L: 13.9434 
 
 Surface and Volume Properties
  Accessible surface: 467.156  Positive charged surface: 336.86  Negative charged surface: 130.295  Volume: 252.5
  Hydrophobic surface: 441.653  Hydrophilic surface: 25.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03187366
PUBCHEM-ZINC04978482