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


ASINEX-ZINC00799858

 MMsINC code: MMs00169571
Type: Neutral
Formula: C26H27NO3
SMILES:   O(C)c1cc2c(cc1OC)CCN(C(=O)C(c1ccccc1)c1ccccc1)C2C
InChI:   InChI=1/C26H27NO3/c1-18-22-17-24(30-3)23(29-2)16-21(22)14-15-27(18)26(28)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-18,25H,14-15H2,1-3H3/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)=150.307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.506 g/mol  logS: -5.50869  SlogP: 5.07707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133559  Sterimol/B1: 2.31246  Sterimol/B2: 2.3865  Sterimol/B3: 6.44153
  Sterimol/B4: 8.74264  Sterimol/L: 16.4977 
 
 Surface and Volume Properties
  Accessible surface: 663.808  Positive charged surface: 462.79  Negative charged surface: 201.018  Volume: 404.5
  Hydrophobic surface: 606.75  Hydrophilic surface: 57.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.