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


ENAMINE-ZINC03363190

 MMsINC code: MMs01397044
Type: Neutral
Formula: C30H28N2O5
SMILES:   o1cccc1C(=O)NC(Cc1ccccc1)C(OC(C(=O)Nc1cc(ccc1C)C)c1ccccc1)=O
InChI:   InChI=1/C30H28N2O5/c1-20-15-16-21(2)24(18-20)31-29(34)27(23-12-7-4-8-13-23)37-30(35)25(19-22-10-5-3-6-11-22)32-28(33)26-14-9-17-36-26/h3-18,25,27H,19H2,1-2H3,(H,31,34)(H,32,33)/t25-,27-/m0/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)=139.981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.563 g/mol  logS: -7.91884  SlogP: 5.25621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0844481  Sterimol/B1: 2.01133  Sterimol/B2: 4.36944  Sterimol/B3: 5.78912
  Sterimol/B4: 11.1583  Sterimol/L: 19.995 
 
 Surface and Volume Properties
  Accessible surface: 821.364  Positive charged surface: 467.243  Negative charged surface: 354.121  Volume: 479.625
  Hydrophobic surface: 741.129  Hydrophilic surface: 80.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.