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


PUBCHEM-ZINC05319035

 MMsINC code: MMs03239198
Type: Neutral
Formula: C11H15NO3
SMILES:   Oc1cc(ccc1O)C(=O)CCN(C)C
InChI:   InChI=1/C11H15NO3/c1-12(2)6-5-9(13)8-3-4-10(14)11(15)7-8/h3-4,7,14-15H,5-6H2,1-2H3

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)=49.705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.245 g/mol  logS: -0.7457  SlogP: 1.2322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0333946  Sterimol/B1: 2.42271  Sterimol/B2: 2.82348  Sterimol/B3: 3.57252
  Sterimol/B4: 4.97384  Sterimol/L: 14.1644 
 
 Surface and Volume Properties
  Accessible surface: 435.574  Positive charged surface: 323.726  Negative charged surface: 111.848  Volume: 206.75
  Hydrophobic surface: 304.636  Hydrophilic surface: 130.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03239199
PUBCHEM-ZINC05319035