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


IBS-ZINC04808271

 MMsINC code: MMs01894711
Type: Neutral
Formula: C24H23N3O3
SMILES:   O=C\1N(CCCC)C(=O)NC(=O)/C/1=C\c1c2c(n(c1)Cc1ccccc1)cccc2
InChI:   InChI=1/C24H23N3O3/c1-2-3-13-27-23(29)20(22(28)25-24(27)30)14-18-16-26(15-17-9-5-4-6-10-17)21-12-8-7-11-19(18)21/h4-12,14,16H,2-3,13,15H2,1H3,(H,25,28,30)/b20-14-

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)=44.3194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.466 g/mol  logS: -5.70112  SlogP: 4.2179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149197  Sterimol/B1: 2.15421  Sterimol/B2: 3.27204  Sterimol/B3: 5.45473
  Sterimol/B4: 9.52826  Sterimol/L: 15.0606 
 
 Surface and Volume Properties
  Accessible surface: 677.104  Positive charged surface: 408.35  Negative charged surface: 264.216  Volume: 388.875
  Hydrophobic surface: 511.454  Hydrophilic surface: 165.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.