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


ASINEX-ZINC01225164

 MMsINC code: MMs00233146
Type: Neutral
Formula: C25H19NO2
SMILES:   O=C1N(C(=O)C2C1C1c3c(C2c2c1cccc2)cccc3)c1ccc(cc1)C
InChI:   InChI=1/C25H19NO2/c1-14-10-12-15(13-11-14)26-24(27)22-20-16-6-2-3-7-17(16)21(23(22)25(26)28)19-9-5-4-8-18(19)20/h2-13,20-23H,1H3/t20-,21+,22-,23-/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)=184.887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.432 g/mol  logS: -5.65667  SlogP: 4.39162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14147  Sterimol/B1: 4.06724  Sterimol/B2: 4.20718  Sterimol/B3: 4.23528
  Sterimol/B4: 6.35777  Sterimol/L: 16.3148 
 
 Surface and Volume Properties
  Accessible surface: 599.433  Positive charged surface: 328.358  Negative charged surface: 271.075  Volume: 350.125
  Hydrophobic surface: 541.497  Hydrophilic surface: 57.936
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.