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


OTAVA-ZINC05484510

 MMsINC code: MMs02597878
Type: Neutral
Formula: C24H23ClN2O3
SMILES:   Clc1ccccc1NC(=O)c1ccc(OC(C(=O)Nc2ccc(cc2)CC)C)cc1
InChI:   InChI=1/C24H23ClN2O3/c1-3-17-8-12-19(13-9-17)26-23(28)16(2)30-20-14-10-18(11-15-20)24(29)27-22-7-5-4-6-21(22)25/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29)/t16-/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)=131.818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.912 g/mol  logS: -7.45232  SlogP: 5.56067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.02321  Sterimol/B1: 3.54982  Sterimol/B2: 4.06318  Sterimol/B3: 4.42081
  Sterimol/B4: 5.17269  Sterimol/L: 24.7082 
 
 Surface and Volume Properties
  Accessible surface: 735.531  Positive charged surface: 394.337  Negative charged surface: 341.194  Volume: 401.875
  Hydrophobic surface: 620.183  Hydrophilic surface: 115.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.