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


PUBCHEM-ZINC01073520

 MMsINC code: MMs02764364
Type: Neutral
Formula: C25H24N2O4
SMILES:   o1c(ccc1C)-c1nc2c(cccc2)c(c1)C(=O)NC(C)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C25H24N2O4/c1-15-9-11-22(31-15)21-14-19(18-7-5-6-8-20(18)27-21)25(28)26-16(2)17-10-12-23(29-3)24(13-17)30-4/h5-14,16H,1-4H3,(H,26,28)/t16-/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)=117.879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -6.59144  SlogP: 5.40692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0593836  Sterimol/B1: 2.26094  Sterimol/B2: 3.68971  Sterimol/B3: 4.16692
  Sterimol/B4: 12.3645  Sterimol/L: 16.5158 
 
 Surface and Volume Properties
  Accessible surface: 736.003  Positive charged surface: 478.88  Negative charged surface: 251.588  Volume: 404
  Hydrophobic surface: 648.747  Hydrophilic surface: 87.256
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.