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


CHEMDIV-ZINC06931486

 MMsINC code: MMs01063904
Type: Neutral
Formula: C23H27N3O3S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1cc(ccc1)CC)C)c1cc2c3CCCCc3[nH]c2cc1
InChI:   InChI=1/C23H27N3O3S/c1-3-16-7-6-8-17(13-16)24-23(27)15-26(2)30(28,29)18-11-12-22-20(14-18)19-9-4-5-10-21(19)25-22/h6-8,11-14,25H,3-5,9-10,15H2,1-2H3,(H,24,27)

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)=74.4872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.553 g/mol  logS: -5.66272  SlogP: 3.86821  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178689  Sterimol/B1: 3.52469  Sterimol/B2: 3.7353  Sterimol/B3: 5.70602
  Sterimol/B4: 8.65116  Sterimol/L: 14.4513 
 
 Surface and Volume Properties
  Accessible surface: 637.048  Positive charged surface: 445.851  Negative charged surface: 188.683  Volume: 403.125
  Hydrophobic surface: 507.137  Hydrophilic surface: 129.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.