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


PUBCHEM-ZINC00640704

 MMsINC code: MMs02718165
Type: Neutral
Formula: C25H28N4O2
SMILES:   O=C(N(CC)c1ccccc1)Nc1cc(NC(=O)N(CC)c2ccccc2)ccc1C
InChI:   InChI=1/C25H28N4O2/c1-4-28(21-12-8-6-9-13-21)24(30)26-20-17-16-19(3)23(18-20)27-25(31)29(5-2)22-14-10-7-11-15-22/h6-18H,4-5H2,1-3H3,(H,26,30)(H,27,31)

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)=116.81 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.525 g/mol  logS: -5.72213  SlogP: 6.11182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.075719  Sterimol/B1: 2.89407  Sterimol/B2: 3.54122  Sterimol/B3: 5.73659
  Sterimol/B4: 9.04597  Sterimol/L: 18.9655 
 
 Surface and Volume Properties
  Accessible surface: 736.208  Positive charged surface: 455.522  Negative charged surface: 280.686  Volume: 422
  Hydrophobic surface: 648.909  Hydrophilic surface: 87.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.