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


CHEMBRIDGE-ZINC04156276

 MMsINC code: MMs00763839
Type: Neutral
Formula: C19H23Cl2NO2
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)NC12CC3CC(C1)CC(C2)C3)C
InChI:   InChI=1/C19H23Cl2NO2/c1-11(24-17-3-2-15(20)7-16(17)21)18(23)22-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,22,23)/t11-,12-,13+,14-,19-/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)=87.2873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.304 g/mol  logS: -6.2301  SlogP: 4.8457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0862475  Sterimol/B1: 2.30272  Sterimol/B2: 2.50411  Sterimol/B3: 5.33794
  Sterimol/B4: 6.66586  Sterimol/L: 17.5529 
 
 Surface and Volume Properties
  Accessible surface: 591.714  Positive charged surface: 344.486  Negative charged surface: 247.227  Volume: 335
  Hydrophobic surface: 547.327  Hydrophilic surface: 44.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.