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


CHEMDIV-ZINC06806674

 MMsINC code: MMs01034125
Type: Neutral
Formula: C24H23N3O4
SMILES:   O(C)c1ccc(OC)cc1CC1(N=C2N(C=CC=C2C)C1=O)NC(=O)c1ccccc1
InChI:   InChI=1/C24H23N3O4/c1-16-8-7-13-27-21(16)25-24(23(27)29,26-22(28)17-9-5-4-6-10-17)15-18-14-19(30-2)11-12-20(18)31-3/h4-14H,15H2,1-3H3,(H,26,28)/t24-/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)=122.241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.465 g/mol  logS: -5.15878  SlogP: 3.08687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152718  Sterimol/B1: 2.66287  Sterimol/B2: 5.77369  Sterimol/B3: 5.87218
  Sterimol/B4: 5.91192  Sterimol/L: 14.7652 
 
 Surface and Volume Properties
  Accessible surface: 663.109  Positive charged surface: 414.259  Negative charged surface: 248.851  Volume: 396.125
  Hydrophobic surface: 595.994  Hydrophilic surface: 67.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.