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


PUBCHEM-ZINC03748479

 MMsINC code: MMs03068947
Type: Neutral
Formula: C19H19NO3
SMILES:   O(CC)c1c(cc(cc1C)-c1cn2c(C=CC=C2)c1C(O)=O)C
InChI:   InChI=1/C19H19NO3/c1-4-23-18-12(2)9-14(10-13(18)3)15-11-20-8-6-5-7-16(20)17(15)19(21)22/h5-11H,4H2,1-3H3,(H,21,22)

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)=71.4621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.365 g/mol  logS: -3.87013  SlogP: 4.36634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0647456  Sterimol/B1: 2.9881  Sterimol/B2: 4.38449  Sterimol/B3: 4.41358
  Sterimol/B4: 4.96695  Sterimol/L: 17.0215 
 
 Surface and Volume Properties
  Accessible surface: 570.955  Positive charged surface: 324.957  Negative charged surface: 245.998  Volume: 307.25
  Hydrophobic surface: 444.938  Hydrophilic surface: 126.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03068948
PUBCHEM-ZINC03748479