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


CHEMBRIDGE-ZINC00673557

 MMsINC code: MMs00639354
Type: Neutral
Formula: C25H22N2O3
SMILES:   O(CC)c1ccccc1C1NC(=O)NC(=C1C(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H22N2O3/c1-2-30-20-16-10-9-15-19(20)23-21(24(28)18-13-7-4-8-14-18)22(26-25(29)27-23)17-11-5-3-6-12-17/h3-16,23H,2H2,1H3,(H2,26,27,29)/t23-/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)=76.5608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.462 g/mol  logS: -6.34677  SlogP: 4.8289  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.373545  Sterimol/B1: 2.3068  Sterimol/B2: 4.13286  Sterimol/B3: 7.67506
  Sterimol/B4: 8.42861  Sterimol/L: 13.7337 
 
 Surface and Volume Properties
  Accessible surface: 616.481  Positive charged surface: 387.188  Negative charged surface: 229.294  Volume: 388.25
  Hydrophobic surface: 493.028  Hydrophilic surface: 123.453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.