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


PUBCHEM-ZINC02870224

 MMsINC code: MMs02948290
Type: Neutral
Formula: C28H34N4O2
SMILES:   O=C(Nc1cc(NC(=O)NCc2ccc(cc2)C(C)C)ccc1)NCc1ccc(cc1)C(C)C
InChI:   InChI=1/C28H34N4O2/c1-19(2)23-12-8-21(9-13-23)17-29-27(33)31-25-6-5-7-26(16-25)32-28(34)30-18-22-10-14-24(15-11-22)20(3)4/h5-16,19-20H,17-18H2,1-4H3,(H2,29,31,33)(H2,30,32,34)

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)=59.7499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.606 g/mol  logS: -8.01602  SlogP: 7.1096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222484  Sterimol/B1: 2.86373  Sterimol/B2: 3.70126  Sterimol/B3: 3.81286
  Sterimol/B4: 10.9381  Sterimol/L: 25.1695 
 
 Surface and Volume Properties
  Accessible surface: 853.491  Positive charged surface: 571.296  Negative charged surface: 282.195  Volume: 471.125
  Hydrophobic surface: 634.288  Hydrophilic surface: 219.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.