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


PUBCHEM-ZINC01999589

 MMsINC code: MMs02841932
Type: Neutral
Formula: C20H24ClNO2
SMILES:   Clc1cc(ccc1)CCC1N(CCc2c1cc(OC)c(OC)c2)C
InChI:   InChI=1/C20H24ClNO2/c1-22-10-9-15-12-19(23-2)20(24-3)13-17(15)18(22)8-7-14-5-4-6-16(21)11-14/h4-6,11-13,18H,7-10H2,1-3H3/t18-/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)=99.0632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.87 g/mol  logS: -4.30639  SlogP: 4.61444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139149  Sterimol/B1: 2.41043  Sterimol/B2: 3.3757  Sterimol/B3: 4.62363
  Sterimol/B4: 9.56348  Sterimol/L: 15.3069 
 
 Surface and Volume Properties
  Accessible surface: 590.08  Positive charged surface: 406.109  Negative charged surface: 183.971  Volume: 341.25
  Hydrophobic surface: 572.873  Hydrophilic surface: 17.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs02841933
PUBCHEM-ZINC01999589