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


ENAMINE-ZINC03425525

 MMsINC code: MMs01434193
Type: Neutral
Formula: C23H27NO5
SMILES:   O(C(=O)C)c1ccc(cc1)-c1ccc(cc1)C(OCC(=O)N(C(C)C)C(C)C)=O
InChI:   InChI=1/C23H27NO5/c1-15(2)24(16(3)4)22(26)14-28-23(27)20-8-6-18(7-9-20)19-10-12-21(13-11-19)29-17(5)25/h6-13,15-16H,14H2,1-5H3

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)=147.736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.471 g/mol  logS: -5.92193  SlogP: 4.0811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235606  Sterimol/B1: 2.40894  Sterimol/B2: 2.97073  Sterimol/B3: 5.28902
  Sterimol/B4: 6.19655  Sterimol/L: 22.2177 
 
 Surface and Volume Properties
  Accessible surface: 699.611  Positive charged surface: 391.465  Negative charged surface: 297.404  Volume: 392.375
  Hydrophobic surface: 518.347  Hydrophilic surface: 181.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.