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


ENAMINE-ZINC03482339

 MMsINC code: MMs01466765
Type: Neutral
Formula: C23H22N2O5
SMILES:   O=C1N(C(=O)c2c1cccc2)c1cc(ccc1)C(OCC(=O)N1CCCCC1C)=O
InChI:   InChI=1/C23H22N2O5/c1-15-7-4-5-12-24(15)20(26)14-30-23(29)16-8-6-9-17(13-16)25-21(27)18-10-2-3-11-19(18)22(25)28/h2-3,6,8-11,13,15H,4-5,7,12,14H2,1H3/t15-/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)=124.075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.438 g/mol  logS: -5.28826  SlogP: 3.045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0105419  Sterimol/B1: 2.68311  Sterimol/B2: 3.39819  Sterimol/B3: 3.47264
  Sterimol/B4: 6.75365  Sterimol/L: 21.3741 
 
 Surface and Volume Properties
  Accessible surface: 670.563  Positive charged surface: 421.426  Negative charged surface: 249.137  Volume: 376.625
  Hydrophobic surface: 527.236  Hydrophilic surface: 143.327
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.