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


CHEMDIV-ZINC03028634

 MMsINC code: MMs00904776
Type: Neutral
Formula: C27H30FNO4S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(OCC)=O)Cc1ccc(F)cc1)c1ccc(cc1)C(C)(
C)C
InChI:   InChI=1/C27H30FNO4S/c1-5-33-26(30)22-10-6-20(7-11-22)18-29(19-21-8-14-24(28)15-9-21)34(31,32)25-16-12-23(13-17-25)27(2,3)4/h6-17H,5,18-19H2,1-4H3

Download   format file 
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)=90.6739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 483.604 g/mol  logS: -7.85774  SlogP: 6.2238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128858  Sterimol/B1: 2.3351  Sterimol/B2: 2.43771  Sterimol/B3: 5.93241
  Sterimol/B4: 12.2136  Sterimol/L: 17.3272 
 
 Surface and Volume Properties
  Accessible surface: 737.328  Positive charged surface: 422.683  Negative charged surface: 314.645  Volume: 461.875
  Hydrophobic surface: 573.073  Hydrophilic surface: 164.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.