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


ENAMINE-ZINC03419928

 MMsINC code: MMs01431310
Type: Neutral
Formula: C24H26N2O2
SMILES:   O(Cc1ccccc1)c1cc(ccc1)C(=O)NCC(N(C)C)c1ccccc1
InChI:   InChI=1/C24H26N2O2/c1-26(2)23(20-12-7-4-8-13-20)17-25-24(27)21-14-9-15-22(16-21)28-18-19-10-5-3-6-11-19/h3-16,23H,17-18H2,1-2H3,(H,25,27)/t23-/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)=125.921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -5.01508  SlogP: 4.6602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417107  Sterimol/B1: 2.30287  Sterimol/B2: 4.54384  Sterimol/B3: 4.96443
  Sterimol/B4: 5.55126  Sterimol/L: 21.5201 
 
 Surface and Volume Properties
  Accessible surface: 700.045  Positive charged surface: 441.282  Negative charged surface: 258.763  Volume: 384.5
  Hydrophobic surface: 652.976  Hydrophilic surface: 47.069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs01431311
ENAMINE-ZINC03419928