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


PUBCHEM-ZINC04649224

 MMsINC code: MMs03145882
Type: Neutral
Formula: C17H17NO3
SMILES:   OC(=O)c1cc(ccc1NC(=O)c1cc(C)c(cc1)C)C
InChI:   InChI=1/C17H17NO3/c1-10-4-7-15(14(8-10)17(20)21)18-16(19)13-6-5-11(2)12(3)9-13/h4-9H,1-3H3,(H,18,19)(H,20,21)

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)=82.4582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.327 g/mol  logS: -4.74603  SlogP: 3.56236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0164023  Sterimol/B1: 2.6892  Sterimol/B2: 2.83824  Sterimol/B3: 3.03472
  Sterimol/B4: 6.66046  Sterimol/L: 16.0929 
 
 Surface and Volume Properties
  Accessible surface: 527.798  Positive charged surface: 309.122  Negative charged surface: 218.676  Volume: 277
  Hydrophobic surface: 413.586  Hydrophilic surface: 114.212
 
 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


MMs03145883
PUBCHEM-ZINC04649224