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


CHEMDIV-ZINC01507820

 MMsINC code: MMs00866847
Type: Neutral
Formula: C16H15NO3
SMILES:   OC(=O)c1ccc(NC(=O)c2cc(C)c(cc2)C)cc1
InChI:   InChI=1/C16H15NO3/c1-10-3-4-13(9-11(10)2)15(18)17-14-7-5-12(6-8-14)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)

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)=76.9038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.3 g/mol  logS: -4.27211  SlogP: 3.25394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151215  Sterimol/B1: 2.43702  Sterimol/B2: 3.16057  Sterimol/B3: 3.18527
  Sterimol/B4: 5.12255  Sterimol/L: 17.1832 
 
 Surface and Volume Properties
  Accessible surface: 516.628  Positive charged surface: 287.194  Negative charged surface: 229.434  Volume: 260.75
  Hydrophobic surface: 381.487  Hydrophilic surface: 135.141
 
 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


MMs00866848
CHEMDIV-ZINC01507820