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


ENAMINE-ZINC03517864

 MMsINC code: MMs01487206
Type: Neutral
Formula: C24H30N2O3
SMILES:   O(CC)c1ccccc1C(=O)NC(C(C)C)C(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C24H30N2O3/c1-4-29-21-15-8-7-13-19(21)23(27)26-22(16(2)3)24(28)25-20-14-9-11-17-10-5-6-12-18(17)20/h5-8,10,12-13,15-16,20,22H,4,9,11,14H2,1-3H3,(H,25,28)(H,26,27)/t20-,22+/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)=109.056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.515 g/mol  logS: -5.48068  SlogP: 4.12897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119809  Sterimol/B1: 2.18442  Sterimol/B2: 5.27028  Sterimol/B3: 6.40495
  Sterimol/B4: 7.86449  Sterimol/L: 17.5183 
 
 Surface and Volume Properties
  Accessible surface: 702.047  Positive charged surface: 465.723  Negative charged surface: 236.324  Volume: 402.75
  Hydrophobic surface: 603.028  Hydrophilic surface: 99.019
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.