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


PUBCHEM-ZINC02066720

 MMsINC code: MMs02868607
Type: Neutral
Formula: C23H24N2O5
SMILES:   O=C1N(C(Cc2ccccc2)C(=O)NC(C(C)C)C(OC)=O)C(=O)c2c1cccc2
InChI:   InChI=1/C23H24N2O5/c1-14(2)19(23(29)30-3)24-20(26)18(13-15-9-5-4-6-10-15)25-21(27)16-11-7-8-12-17(16)22(25)28/h4-12,14,18-19H,13H2,1-3H3,(H,24,26)/t18-,19-/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)=102.469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -5.07559  SlogP: 2.20767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0991509  Sterimol/B1: 2.51696  Sterimol/B2: 3.35563  Sterimol/B3: 5.63909
  Sterimol/B4: 8.63166  Sterimol/L: 16.6292 
 
 Surface and Volume Properties
  Accessible surface: 665.517  Positive charged surface: 408.247  Negative charged surface: 257.27  Volume: 387.125
  Hydrophobic surface: 533.982  Hydrophilic surface: 131.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.