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


PUBCHEM-ZINC00277257

 MMsINC code: MMs02649088
Type: Neutral
Formula: C18H32N2
SMILES:   N(C1C2CC3CC1CC(C2)C3)C1CCN(CC1)CCC
InChI:   InChI=1/C18H32N2/c1-2-5-20-6-3-17(4-7-20)19-18-15-9-13-8-14(11-15)12-16(18)10-13/h13-19H,2-12H2,1H3/t13-,14+,15-,16+,18-

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)=31.2664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.468 g/mol  logS: -3.03777  SlogP: 3.2751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0754743  Sterimol/B1: 3.47001  Sterimol/B2: 3.86187  Sterimol/B3: 4.04195
  Sterimol/B4: 4.30933  Sterimol/L: 16.691 
 
 Surface and Volume Properties
  Accessible surface: 536.471  Positive charged surface: 453.114  Negative charged surface: 83.3573  Volume: 302.625
  Hydrophobic surface: 507.958  Hydrophilic surface: 28.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02649089
PUBCHEM-ZINC00277257