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


PUBCHEM-ZINC00277489

 MMsINC code: MMs02649157
Type: Neutral
Formula: C15H24N2O
SMILES:   O1CCN(CC1)Cc1ccc(N(CC)CC)cc1
InChI:   InChI=1/C15H24N2O/c1-3-17(4-2)15-7-5-14(6-8-15)13-16-9-11-18-12-10-16/h5-8H,3-4,9-13H2,1-2H3

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)=76.645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.37 g/mol  logS: -2.12964  SlogP: 2.6314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108621  Sterimol/B1: 2.32165  Sterimol/B2: 3.48945  Sterimol/B3: 4.60649
  Sterimol/B4: 6.62199  Sterimol/L: 14.5888 
 
 Surface and Volume Properties
  Accessible surface: 503.601  Positive charged surface: 402.245  Negative charged surface: 101.355  Volume: 274.5
  Hydrophobic surface: 425.919  Hydrophilic surface: 77.682
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02649158
PUBCHEM-ZINC00277489