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


NCID-ZINC05014839

 MMsINC code: MMs02428440
Type: Neutral
Formula: C24H22N2O2
SMILES:   O=C(N\C(=C/c1ccccc1)\C(=O)NC(C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H22N2O2/c1-18(20-13-7-3-8-14-20)25-24(28)22(17-19-11-5-2-6-12-19)26-23(27)21-15-9-4-10-16-21/h2-18H,1H3,(H,25,28)(H,26,27)/b22-17+/t18-/m1/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)=116.516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.452 g/mol  logS: -6.13796  SlogP: 4.4304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0912477  Sterimol/B1: 2.21111  Sterimol/B2: 3.14935  Sterimol/B3: 5.56933
  Sterimol/B4: 8.53416  Sterimol/L: 17.3314 
 
 Surface and Volume Properties
  Accessible surface: 638.778  Positive charged surface: 365.851  Negative charged surface: 272.927  Volume: 372.25
  Hydrophobic surface: 576.898  Hydrophilic surface: 61.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.