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


CHEMBRIDGE-ZINC00987704

MMsINC code: MMs00650011

Type: Neutral
Formula: C23H22ClNO2
SMILES:   Clc1cc(C(CC(=O)NC(C)c2ccccc2)c2ccccc2)c(O)cc1
InChI:   InChI=1/C23H22ClNO2/c1-16(17-8-4-2-5-9-17)25-23(27)15-20(18-10-6-3-7-11-18)21-14-19(24)12-13-22(21)26/h2-14,16,20,26H,15H2,1H3,(H,25,27)/t16-,20+/m1/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)=87.3896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.887 g/mol  logS: -5.58431  SlogP: 5.5405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162261  Sterimol/B1: 2.11002  Sterimol/B2: 4.17562  Sterimol/B3: 6.52746
  Sterimol/B4: 8.17869  Sterimol/L: 16.3759 
 
 Surface and Volume Properties
  Accessible surface: 661.758  Positive charged surface: 349.167  Negative charged surface: 312.59  Volume: 370.375
  Hydrophobic surface: 585.833  Hydrophilic surface: 75.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.