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


PUBCHEM-ZINC05733016

 MMsINC code: MMs03364071
Type: Neutral
Formula: C25H24N2O3
SMILES:   O(C)c1cc2C3N(CCc2cc1OC)C(c1ccccc1)C(=O)Nc1c3cccc1
InChI:   InChI=1/C25H24N2O3/c1-29-21-14-17-12-13-27-23(16-8-4-3-5-9-16)25(28)26-20-11-7-6-10-18(20)24(27)19(17)15-22(21)30-2/h3-11,14-15,23-24H,12-13H2,1-2H3,(H,26,28)/t23-,24-/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)=180.761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.478 g/mol  logS: -5.42769  SlogP: 4.53567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153666  Sterimol/B1: 2.16991  Sterimol/B2: 2.78203  Sterimol/B3: 5.38994
  Sterimol/B4: 10.421  Sterimol/L: 15.3033 
 
 Surface and Volume Properties
  Accessible surface: 637.644  Positive charged surface: 438.011  Negative charged surface: 199.633  Volume: 383.375
  Hydrophobic surface: 569.852  Hydrophilic surface: 67.792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03364072
PUBCHEM-ZINC05733016