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


ENAMINE-ZINC06881765

 MMsINC code: MMs01710201
Type: Neutral
Formula: C24H34N2O4
SMILES:   O(CC(O)CNCC(N(C)C)c1ccc(OC)cc1)c1ccc(cc1)CCC(=O)C
InChI:   InChI=1/C24H34N2O4/c1-18(27)5-6-19-7-11-23(12-8-19)30-17-21(28)15-25-16-24(26(2)3)20-9-13-22(29-4)14-10-20/h7-14,21,24-25,28H,5-6,15-17H2,1-4H3/t21-,24-/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)=135.122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.546 g/mol  logS: -2.97149  SlogP: 2.94447  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0284002  Sterimol/B1: 3.05452  Sterimol/B2: 3.65767  Sterimol/B3: 4.27752
  Sterimol/B4: 6.99155  Sterimol/L: 24.835 
 
 Surface and Volume Properties
  Accessible surface: 782.55  Positive charged surface: 580.194  Negative charged surface: 202.356  Volume: 429
  Hydrophobic surface: 679.847  Hydrophilic surface: 102.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs01710202
ENAMINE-ZINC06881765