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


PUBCHEM-ZINC03746348

 MMsINC code: MMs03068395
Type: Neutral
Formula: C19H19NO3
SMILES:   O(C)c1cc2c([nH]c(-c3ccc(cc3C)C)c2CC(O)=O)cc1
InChI:   InChI=1/C19H19NO3/c1-11-4-6-14(12(2)8-11)19-16(10-18(21)22)15-9-13(23-3)5-7-17(15)20-19/h4-9,20H,10H2,1-3H3,(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)=75.1883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.365 g/mol  logS: -5.09905  SlogP: 4.08741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0996433  Sterimol/B1: 3.52556  Sterimol/B2: 3.90438  Sterimol/B3: 4.5899
  Sterimol/B4: 6.33406  Sterimol/L: 17.0207 
 
 Surface and Volume Properties
  Accessible surface: 561.184  Positive charged surface: 366.386  Negative charged surface: 191.962  Volume: 305.375
  Hydrophobic surface: 443.589  Hydrophilic surface: 117.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03068396
PUBCHEM-ZINC03746348