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


ENAMINE-ZINC06508304

 MMsINC code: MMs01664904
Type: Neutral
Formula: C13H13ClN2O2
SMILES:   Clc1cc(NC(=O)c2c(noc2C)C)c(cc1)C
InChI:   InChI=1/C13H13ClN2O2/c1-7-4-5-10(14)6-11(7)15-13(17)12-8(2)16-18-9(12)3/h4-6H,1-3H3,(H,15,17)

Download   format file 
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)=65.3456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.712 g/mol  logS: -3.52276  SlogP: 3.50556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158762  Sterimol/B1: 2.53655  Sterimol/B2: 2.54774  Sterimol/B3: 5.38633
  Sterimol/B4: 6.80419  Sterimol/L: 12.906 
 
 Surface and Volume Properties
  Accessible surface: 480.949  Positive charged surface: 224.627  Negative charged surface: 256.322  Volume: 241.25
  Hydrophobic surface: 428.414  Hydrophilic surface: 52.535
 
 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.