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


PUBCHEM-ZINC03874377

MMsINC code: MMs03082330

Type: Neutral
Formula: C26H33N3O5
SMILES:   O(Cc1ccccc1)C(=O)NC(C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(O)C)C
InChI:   InChI=1/C26H33N3O5/c1-18(27-26(33)34-17-21-12-7-4-8-13-21)25(32)29-15-9-14-23(29)24(31)28-22(19(2)30)16-20-10-5-3-6-11-20/h3-8,10-13,18-19,22-23,30H,9,14-17H2,1-2H3,(H,27,33)(H,28,31)/t18-,19+,22+,23+/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)=111.464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.566 g/mol  logS: -4.68061  SlogP: 2.66697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178245  Sterimol/B1: 2.47015  Sterimol/B2: 6.61109  Sterimol/B3: 6.65575
  Sterimol/B4: 8.88167  Sterimol/L: 17.8114 
 
 Surface and Volume Properties
  Accessible surface: 800.406  Positive charged surface: 518.976  Negative charged surface: 281.43  Volume: 461.125
  Hydrophobic surface: 646.218  Hydrophilic surface: 154.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.