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


ENAMINE-ZINC03517854

 MMsINC code: MMs01487203
Type: Neutral
Formula: C24H33N3O4S
SMILES:   S(=O)(=O)(N(CC)CC)c1cc(ccc1)C(=O)NC(C(C)C)C(=O)Nc1cc(cc(c1)C
)C
InChI:   InChI=1/C24H33N3O4S/c1-7-27(8-2)32(30,31)21-11-9-10-19(15-21)23(28)26-22(16(3)4)24(29)25-20-13-17(5)12-18(6)14-20/h9-16,22H,7-8H2,1-6H3,(H,25,29)(H,26,28)/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)=93.1642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 459.611 g/mol  logS: -5.77401  SlogP: 3.72704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.033368  Sterimol/B1: 3.40669  Sterimol/B2: 3.70146  Sterimol/B3: 4.86146
  Sterimol/B4: 7.22228  Sterimol/L: 22.1494 
 
 Surface and Volume Properties
  Accessible surface: 764.667  Positive charged surface: 468.463  Negative charged surface: 296.204  Volume: 449.875
  Hydrophobic surface: 584.902  Hydrophilic surface: 179.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.