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


ENAMINE-ZINC05468770

 MMsINC code: MMs01616710
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(CC(=O)N1CCCC1)c1cc2c(cc1C(=O)NCc1ccccc1)cccc2
InChI:   InChI=1/C24H24N2O3/c27-23(26-12-6-7-13-26)17-29-22-15-20-11-5-4-10-19(20)14-21(22)24(28)25-16-18-8-2-1-3-9-18/h1-5,8-11,14-15H,6-7,12-13,16-17H2,(H,25,28)

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)=99.8318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -5.84613  SlogP: 4.0374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299686  Sterimol/B1: 3.00882  Sterimol/B2: 3.61462  Sterimol/B3: 3.65705
  Sterimol/B4: 9.83809  Sterimol/L: 19.5797 
 
 Surface and Volume Properties
  Accessible surface: 702.371  Positive charged surface: 445.038  Negative charged surface: 247.083  Volume: 385.875
  Hydrophobic surface: 627.537  Hydrophilic surface: 74.834
 
 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.