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


ENAMINE-ZINC03236916

 MMsINC code: MMs01322457
Type: Neutral
Formula: C27H27FN2O4
SMILES:   Fc1ccc(cc1)C(=O)CCC(OCC(=O)Nc1ccc(N(C(C)C)c2ccccc2)cc1)=O
InChI:   InChI=1/C27H27FN2O4/c1-19(2)30(23-6-4-3-5-7-23)24-14-12-22(13-15-24)29-26(32)18-34-27(33)17-16-25(31)20-8-10-21(28)11-9-20/h3-15,19H,16-18H2,1-2H3,(H,29,32)

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)=134.396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.521 g/mol  logS: -6.5589  SlogP: 5.517  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0245017  Sterimol/B1: 2.20102  Sterimol/B2: 2.75442  Sterimol/B3: 5.96163
  Sterimol/B4: 7.82148  Sterimol/L: 24.8953 
 
 Surface and Volume Properties
  Accessible surface: 801.286  Positive charged surface: 471.205  Negative charged surface: 330.081  Volume: 442.875
  Hydrophobic surface: 646.781  Hydrophilic surface: 154.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.