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


ENAMINE-ZINC06589335

 MMsINC code: MMs01680388
Type: Neutral
Formula: C24H26N2O2
SMILES:   O(C)c1ccc(cc1)CNC(=O)C(NC(c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C24H26N2O2/c1-18(24(27)25-17-19-13-15-22(28-2)16-14-19)26-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18,23,26H,17H2,1-2H3,(H,25,27)/t18-/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)=99.1605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -5.21134  SlogP: 4.441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787291  Sterimol/B1: 3.46553  Sterimol/B2: 4.38074  Sterimol/B3: 4.69364
  Sterimol/B4: 6.77652  Sterimol/L: 19.3182 
 
 Surface and Volume Properties
  Accessible surface: 694.535  Positive charged surface: 438.762  Negative charged surface: 255.773  Volume: 388.125
  Hydrophobic surface: 618.039  Hydrophilic surface: 76.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01680389
ENAMINE-ZINC06589335