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


ENAMINE-ZINC06848848

 MMsINC code: MMs01705115
Type: Neutral
Formula: C21H26N2O3
SMILES:   O(C)c1ccc(cc1)CCNC(=O)C(NC(=O)c1ccccc1)C(C)C
InChI:   InChI=1/C21H26N2O3/c1-15(2)19(23-20(24)17-7-5-4-6-8-17)21(25)22-14-13-16-9-11-18(26-3)12-10-16/h4-12,15,19H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t19-/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)=91.9085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.45 g/mol  logS: -4.31408  SlogP: 2.80847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.053931  Sterimol/B1: 2.43099  Sterimol/B2: 3.67437  Sterimol/B3: 3.9694
  Sterimol/B4: 7.73149  Sterimol/L: 21.0917 
 
 Surface and Volume Properties
  Accessible surface: 667.674  Positive charged surface: 438.703  Negative charged surface: 228.971  Volume: 365.125
  Hydrophobic surface: 562.197  Hydrophilic surface: 105.477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.