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


ASINEX-ZINC03055495

 MMsINC code: MMs00284259
Type: Neutral
Formula: C25H24N2O2
SMILES:   O=C(N\C(=C/c1ccccc1)\C(=O)NCCc1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C25H24N2O2/c1-19-12-14-22(15-13-19)24(28)27-23(18-21-10-6-3-7-11-21)25(29)26-17-16-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3,(H,26,29)(H,27,28)/b23-18+

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)=118.386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.479 g/mol  logS: -6.34614  SlogP: 4.12479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0396442  Sterimol/B1: 3.42467  Sterimol/B2: 3.64651  Sterimol/B3: 5.39583
  Sterimol/B4: 8.74751  Sterimol/L: 18.374 
 
 Surface and Volume Properties
  Accessible surface: 695.944  Positive charged surface: 400.165  Negative charged surface: 295.778  Volume: 392.125
  Hydrophobic surface: 640.447  Hydrophilic surface: 55.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.