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


PUBCHEM-ZINC01194643

 MMsINC code: MMs02786023
Type: Neutral
Formula: C24H23N3O3
SMILES:   O(CC)c1ccc(NC(=O)/C(/NC(=O)c2ccc(cc2)C)=C\c2cccnc2)cc1
InChI:   InChI=1/C24H23N3O3/c1-3-30-21-12-10-20(11-13-21)26-24(29)22(15-18-5-4-14-25-16-18)27-23(28)19-8-6-17(2)7-9-19/h4-16H,3H2,1-2H3,(H,26,29)(H,27,28)/b22-15-

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)=165.824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.466 g/mol  logS: -5.46008  SlogP: 4.19832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175887  Sterimol/B1: 2.90367  Sterimol/B2: 3.02993  Sterimol/B3: 4.10532
  Sterimol/B4: 8.86304  Sterimol/L: 19.4977 
 
 Surface and Volume Properties
  Accessible surface: 698.839  Positive charged surface: 443.271  Negative charged surface: 255.569  Volume: 391.75
  Hydrophobic surface: 589.597  Hydrophilic surface: 109.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.