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


CHEMDIV-ZINC04792737

 MMsINC code: MMs00956575
Type: Neutral
Formula: C25H28N4O6
SMILES:   O(C)c1cc2c(NC(=O)N(Cc3ccc(cc3)C(=O)NCCCN3CCCC3=O)C2=O)cc1OC
InChI:   InChI=1/C25H28N4O6/c1-34-20-13-18-19(14-21(20)35-2)27-25(33)29(24(18)32)15-16-6-8-17(9-7-16)23(31)26-10-4-12-28-11-3-5-22(28)30/h6-9,13-14H,3-5,10-12,15H2,1-2H3,(H,26,31)(H,27,33)

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)=65.3989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.521 g/mol  logS: -4.34758  SlogP: 2.9004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631256  Sterimol/B1: 2.25767  Sterimol/B2: 3.88654  Sterimol/B3: 7.33156
  Sterimol/B4: 7.54466  Sterimol/L: 22.2438 
 
 Surface and Volume Properties
  Accessible surface: 803.278  Positive charged surface: 583.794  Negative charged surface: 219.483  Volume: 445
  Hydrophobic surface: 611.512  Hydrophilic surface: 191.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.