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


ASINEX-ZINC04860169

 MMsINC code: MMs00387178
Type: Neutral
Formula: C23H27N3O5
SMILES:   O(C)c1cc2C=C(CN(CCCO)C(=O)Nc3ccc(cc3)C)C(=O)Nc2cc1OC
InChI:   InChI=1/C23H27N3O5/c1-15-5-7-18(8-6-15)24-23(29)26(9-4-10-27)14-17-11-16-12-20(30-2)21(31-3)13-19(16)25-22(17)28/h5-8,11-13,27H,4,9-10,14H2,1-3H3,(H,24,29)(H,25,28)

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)=92.516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.485 g/mol  logS: -4.53035  SlogP: 3.26422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691522  Sterimol/B1: 2.71996  Sterimol/B2: 3.53958  Sterimol/B3: 4.80716
  Sterimol/B4: 10.9809  Sterimol/L: 18.9312 
 
 Surface and Volume Properties
  Accessible surface: 731.418  Positive charged surface: 536.965  Negative charged surface: 194.454  Volume: 406.375
  Hydrophobic surface: 584.242  Hydrophilic surface: 147.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.