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


ASINEX-ZINC04875803

 MMsINC code: MMs00392365
Type: Neutral
Formula: C23H29N3O3S
SMILES:   s1cccc1C(=O)NCC(=O)N(CC(=O)NC1CCCCC1)c1cccc(C)c1C
InChI:   InChI=1/C23H29N3O3S/c1-16-8-6-11-19(17(16)2)26(15-21(27)25-18-9-4-3-5-10-18)22(28)14-24-23(29)20-12-7-13-30-20/h6-8,11-13,18H,3-5,9-10,14-15H2,1-2H3,(H,24,29)(H,25,27)

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)=94.8305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 427.569 g/mol  logS: -5.50622  SlogP: 3.57684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0871609  Sterimol/B1: 2.23761  Sterimol/B2: 3.561  Sterimol/B3: 5.20358
  Sterimol/B4: 13.2068  Sterimol/L: 18.0472 
 
 Surface and Volume Properties
  Accessible surface: 735.958  Positive charged surface: 449.42  Negative charged surface: 286.538  Volume: 415.5
  Hydrophobic surface: 635.002  Hydrophilic surface: 100.956
 
 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.