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


PUBCHEM-ZINC06600128

 MMsINC code: MMs03815367
Type: Neutral
Formula: C28H35FN2O5
SMILES:   Fc1ccc(cc1)C(N(C(=O)C1Oc2c(OC1)cccc2)CCCOCC)C(=O)NC1CCCCC1
InChI:   InChI=1/C28H35FN2O5/c1-2-34-18-8-17-31(28(33)25-19-35-23-11-6-7-12-24(23)36-25)26(20-13-15-21(29)16-14-20)27(32)30-22-9-4-3-5-10-22/h6-7,11-16,22,25-26H,2-5,8-10,17-19H2,1H3,(H,30,32)/t25-,26-/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)=166.049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 498.595 g/mol  logS: -6.07927  SlogP: 4.5064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120093  Sterimol/B1: 2.56493  Sterimol/B2: 3.02555  Sterimol/B3: 6.0936
  Sterimol/B4: 12.7669  Sterimol/L: 19.6512 
 
 Surface and Volume Properties
  Accessible surface: 819.951  Positive charged surface: 569.989  Negative charged surface: 249.963  Volume: 479.625
  Hydrophobic surface: 747.911  Hydrophilic surface: 72.04
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.