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


ENAMINE-ZINC05704821

 MMsINC code: MMs01636927
Type: Neutral
Formula: C18H25NO2
SMILES:   O(C)c1ccc(cc1)CCNC(=O)CC1C2CC(C1)CC2
InChI:   InChI=1/C18H25NO2/c1-21-17-6-3-13(4-7-17)8-9-19-18(20)12-16-11-14-2-5-15(16)10-14/h3-4,6-7,14-16H,2,5,8-12H2,1H3,(H,19,20)/t14-,15+,16+/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)=82.9474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.403 g/mol  logS: -4.73923  SlogP: 3.18017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0471723  Sterimol/B1: 2.58016  Sterimol/B2: 3.34684  Sterimol/B3: 3.67475
  Sterimol/B4: 5.49441  Sterimol/L: 18.8694 
 
 Surface and Volume Properties
  Accessible surface: 570.745  Positive charged surface: 434.13  Negative charged surface: 136.615  Volume: 301.25
  Hydrophobic surface: 519.892  Hydrophilic surface: 50.853
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.