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


CHEMDIV-ZINC03615567

 MMsINC code: MMs00911381
Type: Neutral
Formula: C23H24N2O2S
SMILES:   s1cccc1CC(=O)NC(C(=O)Nc1ccc(cc1)C(C)C)c1ccccc1
InChI:   InChI=1/C23H24N2O2S/c1-16(2)17-10-12-19(13-11-17)24-23(27)22(18-7-4-3-5-8-18)25-21(26)15-20-9-6-14-28-20/h3-14,16,22H,15H2,1-2H3,(H,24,27)(H,25,26)/t22-/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)=103.836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.523 g/mol  logS: -6.66784  SlogP: 5.00567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522364  Sterimol/B1: 2.58067  Sterimol/B2: 3.83243  Sterimol/B3: 4.92385
  Sterimol/B4: 8.08473  Sterimol/L: 20.4003 
 
 Surface and Volume Properties
  Accessible surface: 708.409  Positive charged surface: 403.046  Negative charged surface: 305.363  Volume: 388.25
  Hydrophobic surface: 610.207  Hydrophilic surface: 98.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.