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


PUBCHEM-ZINC02857855

 MMsINC code: MMs02942189
Type: Neutral
Formula: C24H22ClN3O3S
SMILES:   Clc1ccccc1C(=O)Nc1ccc(NC(=S)NC(=O)c2cc(cc(c2)C)C)cc1OC
InChI:   InChI=1/C24H22ClN3O3S/c1-14-10-15(2)12-16(11-14)22(29)28-24(32)26-17-8-9-20(21(13-17)31-3)27-23(30)18-6-4-5-7-19(18)25/h4-13H,1-3H3,(H,27,30)(H2,26,28,29,32)

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)=192.44 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.977 g/mol  logS: -8.52086  SlogP: 5.34454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222187  Sterimol/B1: 2.8563  Sterimol/B2: 4.17204  Sterimol/B3: 4.71978
  Sterimol/B4: 6.9007  Sterimol/L: 23.0649 
 
 Surface and Volume Properties
  Accessible surface: 760.322  Positive charged surface: 431.136  Negative charged surface: 329.186  Volume: 422.375
  Hydrophobic surface: 621.443  Hydrophilic surface: 138.879
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.