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


ENAMINE-ZINC05062606

 MMsINC code: MMs01581250
Type: Neutral
Formula: C24H23FN2O2
SMILES:   Fc1ccc(cc1)CCNC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C24H23FN2O2/c25-21-13-11-18(12-14-21)15-16-26-24(29)22(17-19-7-3-1-4-8-19)27-23(28)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,26,29)(H,27,28)/t22-/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)=99.5803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.458 g/mol  logS: -5.6573  SlogP: 3.52564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472389  Sterimol/B1: 2.76803  Sterimol/B2: 3.54718  Sterimol/B3: 3.84617
  Sterimol/B4: 9.46468  Sterimol/L: 19.4485 
 
 Surface and Volume Properties
  Accessible surface: 678.388  Positive charged surface: 382.142  Negative charged surface: 296.246  Volume: 381.875
  Hydrophobic surface: 618.543  Hydrophilic surface: 59.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.