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


CHEMBRIDGE-ZINC02884898

 MMsINC code: MMs00735382
Type: Neutral
Formula: C19H21NO3
SMILES:   OC(=O)C(NC(=O)c1ccccc1)Cc1ccc(cc1)C(C)C
InChI:   InChI=1/C19H21NO3/c1-13(2)15-10-8-14(9-11-15)12-17(19(22)23)20-18(21)16-6-4-3-5-7-16/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)/t17-/m0/s1

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)=73.3766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.381 g/mol  logS: -4.86058  SlogP: 3.23567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12319  Sterimol/B1: 3.35828  Sterimol/B2: 4.27636  Sterimol/B3: 4.78258
  Sterimol/B4: 7.59564  Sterimol/L: 14.2373 
 
 Surface and Volume Properties
  Accessible surface: 583.335  Positive charged surface: 341.156  Negative charged surface: 242.179  Volume: 314.125
  Hydrophobic surface: 426.709  Hydrophilic surface: 156.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00735383
CHEMBRIDGE-ZINC02884898