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


ENAMINE-ZINC03410505

 MMsINC code: MMs01425409
Type: Neutral
Formula: C24H22ClN3O3S
SMILES:   Clc1ccc(S(=O)(=O)NC(Cc2c3c([nH]c2)cccc3)C(=O)NCc2ccccc2)cc1
InChI:   InChI=1/C24H22ClN3O3S/c25-19-10-12-20(13-11-19)32(30,31)28-23(24(29)27-15-17-6-2-1-3-7-17)14-18-16-26-22-9-5-4-8-21(18)22/h1-13,16,23,26,28H,14-15H2,(H,27,29)/t23-/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)=58.0472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.977 g/mol  logS: -6.01689  SlogP: 4.29367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167999  Sterimol/B1: 4.14422  Sterimol/B2: 4.22058  Sterimol/B3: 5.08317
  Sterimol/B4: 7.6824  Sterimol/L: 16.3236 
 
 Surface and Volume Properties
  Accessible surface: 676.319  Positive charged surface: 360.293  Negative charged surface: 313.4  Volume: 421.875
  Hydrophobic surface: 535.834  Hydrophilic surface: 140.485
 
 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: no related molecules available.