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


PUBCHEM-ZINC00999435

 MMsINC code: MMs02753147
Type: Neutral
Formula: C24H26N2O3
SMILES:   O1CC(N(C(=O)c2cc(nc3c2cccc3)-c2cc(OCC)ccc2)C(C1)C)C
InChI:   InChI=1/C24H26N2O3/c1-4-29-19-9-7-8-18(12-19)23-13-21(20-10-5-6-11-22(20)25-23)24(27)26-16(2)14-28-15-17(26)3/h5-13,16-17H,4,14-15H2,1-3H3/t16-,17-/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)=148.544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -5.73223  SlogP: 4.5499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.050941  Sterimol/B1: 3.8954  Sterimol/B2: 4.07993  Sterimol/B3: 5.14409
  Sterimol/B4: 7.2813  Sterimol/L: 18.4167 
 
 Surface and Volume Properties
  Accessible surface: 654.833  Positive charged surface: 422.298  Negative charged surface: 222.831  Volume: 386.5
  Hydrophobic surface: 543.212  Hydrophilic surface: 111.621
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.