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


CHEMDIV-ZINC06877858

 MMsINC code: MMs01053366
Type: Neutral
Formula: C26H30N2O3
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)c1ccc(-n2c3CCCCc3cc2C)cc1
InChI:   InChI=1/C26H30N2O3/c1-18-16-21-6-4-5-7-23(21)28(18)22-11-9-20(10-12-22)26(29)27-15-14-19-8-13-24(30-2)25(17-19)31-3/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,27,29)

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)=122.012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.537 g/mol  logS: -5.02443  SlogP: 4.65413  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319738  Sterimol/B1: 2.17763  Sterimol/B2: 4.00905  Sterimol/B3: 4.10467
  Sterimol/B4: 8.44682  Sterimol/L: 22.526 
 
 Surface and Volume Properties
  Accessible surface: 761.388  Positive charged surface: 562.882  Negative charged surface: 198.506  Volume: 424.625
  Hydrophobic surface: 692.332  Hydrophilic surface: 69.056
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.