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


ENAMINE-ZINC03269714

 MMsINC code: MMs01341766
Type: Tautomer
Formula: C14H19NO3
SMILES:   OC(=O)C(NC(=O)c1ccccc1C)CC(C)C
InChI:   InChI=1/C14H19NO3/c1-9(2)8-12(14(17)18)15-13(16)11-7-5-4-6-10(11)3/h4-7,9,12H,8H2,1-3H3,(H,15,16)(H,17,18)/t12-/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)=61.9594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.31 g/mol  logS: -3.56019  SlogP: 2.22412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178099  Sterimol/B1: 2.66678  Sterimol/B2: 3.43845  Sterimol/B3: 5.44256
  Sterimol/B4: 5.72989  Sterimol/L: 13.1534 
 
 Surface and Volume Properties
  Accessible surface: 493.306  Positive charged surface: 301.947  Negative charged surface: 191.359  Volume: 251.875
  Hydrophobic surface: 349.443  Hydrophilic surface: 143.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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:  
   
Parent related molecule:


MMs01341765
ENAMINE-ZINC03269714