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


PUBCHEM-ZINC01345124

 MMsINC code: MMs02798198
Type: Neutral
Formula: C23H24N2O4
SMILES:   O1CC(=Cc2c1cccc2)C(OC(C(=O)NC1CCCCC1)c1cccnc1)=O
InChI:   InChI=1/C23H24N2O4/c26-22(25-19-9-2-1-3-10-19)21(17-8-6-12-24-14-17)29-23(27)18-13-16-7-4-5-11-20(16)28-15-18/h4-8,11-14,19,21H,1-3,9-10,15H2,(H,25,26)/t21-/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)=78.9731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -4.63471  SlogP: 3.6863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0648761  Sterimol/B1: 3.36501  Sterimol/B2: 3.80028  Sterimol/B3: 4.40681
  Sterimol/B4: 7.25229  Sterimol/L: 19.4393 
 
 Surface and Volume Properties
  Accessible surface: 678.148  Positive charged surface: 452.655  Negative charged surface: 225.493  Volume: 381.125
  Hydrophobic surface: 580.999  Hydrophilic surface: 97.149
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.