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


PUBCHEM-ZINC04690888

 MMsINC code: MMs03157608
Type: Neutral
Formula: C14H19NO3
SMILES:   OC(=O)CC(CC(=O)NC(C)c1ccccc1)C
InChI:   InChI=1/C14H19NO3/c1-10(9-14(17)18)8-13(16)15-11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,16)(H,17,18)/t10-,11-/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)=33.2187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.31 g/mol  logS: -2.33489  SlogP: 2.4602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0658401  Sterimol/B1: 2.90997  Sterimol/B2: 2.9442  Sterimol/B3: 3.94404
  Sterimol/B4: 4.99022  Sterimol/L: 16.5162 
 
 Surface and Volume Properties
  Accessible surface: 500.243  Positive charged surface: 311.181  Negative charged surface: 189.062  Volume: 252.625
  Hydrophobic surface: 342.182  Hydrophilic surface: 158.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03157609
PUBCHEM-ZINC04690888