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


ENAMINE-ZINC03457992

 MMsINC code: MMs01455309
Type: Neutral
Formula: C16H18ClFN2O2
SMILES:   Clc1cccc(F)c1CN1C(=O)C2(NC1=O)CCC(CC2)C
InChI:   InChI=1/C16H18ClFN2O2/c1-10-5-7-16(8-6-10)14(21)20(15(22)19-16)9-11-12(17)3-2-4-13(11)18/h2-4,10H,5-9H2,1H3,(H,19,22)/t10-,16-

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)=31.5136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.783 g/mol  logS: -4.81802  SlogP: 3.7462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129397  Sterimol/B1: 2.94639  Sterimol/B2: 3.68246  Sterimol/B3: 3.93474
  Sterimol/B4: 6.59093  Sterimol/L: 13.8364 
 
 Surface and Volume Properties
  Accessible surface: 505.875  Positive charged surface: 309.785  Negative charged surface: 196.09  Volume: 285.125
  Hydrophobic surface: 412.059  Hydrophilic surface: 93.816
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.