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


PUBCHEM-ZINC02934438

 MMsINC code: MMs02962363
Type: Neutral
Formula: C25H24N2O3
SMILES:   o1c2c(nc1-c1cc(NC(=O)c3cc(OCCCC)ccc3)c(cc1)C)cccc2
InChI:   InChI=1/C25H24N2O3/c1-3-4-14-29-20-9-7-8-18(15-20)24(28)26-22-16-19(13-12-17(22)2)25-27-21-10-5-6-11-23(21)30-25/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,28)

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)=101.899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.478 g/mol  logS: -7.92559  SlogP: 6.23442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0110342  Sterimol/B1: 2.54971  Sterimol/B2: 3.3913  Sterimol/B3: 4.56006
  Sterimol/B4: 9.61644  Sterimol/L: 21.3163 
 
 Surface and Volume Properties
  Accessible surface: 731.521  Positive charged surface: 450.959  Negative charged surface: 280.562  Volume: 395.625
  Hydrophobic surface: 635.141  Hydrophilic surface: 96.38
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.