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


CHEMDIV-ZINC03037487

 MMsINC code: MMs00906350
Type: Neutral
Formula: C24H27FN2O2
SMILES:   Fc1ccc(cc1)C1N(CCc2ccccc2)C(=O)CN(C1=O)C1CCCCC1
InChI:   InChI=1/C24H27FN2O2/c25-20-13-11-19(12-14-20)23-24(29)27(21-9-5-2-6-10-21)17-22(28)26(23)16-15-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,21,23H,2,5-6,9-10,15-17H2/t23-/m0/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)=125.94 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.49 g/mol  logS: -5.23593  SlogP: 4.20847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111561  Sterimol/B1: 3.30717  Sterimol/B2: 3.4026  Sterimol/B3: 4.74626
  Sterimol/B4: 8.88269  Sterimol/L: 17.8934 
 
 Surface and Volume Properties
  Accessible surface: 664.053  Positive charged surface: 410.569  Negative charged surface: 253.485  Volume: 387.375
  Hydrophobic surface: 618.53  Hydrophilic surface: 45.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.