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


CHEMBRIDGE-ZINC02903663

 MMsINC code: MMs00739816
Type: Neutral
Formula: C15H23Cl2NO
SMILES:   Clc1cc(Cl)ccc1OCCCCCN(CC)CC
InChI:   InChI=1/C15H23Cl2NO/c1-3-18(4-2)10-6-5-7-11-19-15-9-8-13(16)12-14(15)17/h8-9,12H,3-7,10-11H2,1-2H3

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)=41.7924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.261 g/mol  logS: -4.06146  SlogP: 4.8843  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0348411  Sterimol/B1: 2.82395  Sterimol/B2: 3.09624  Sterimol/B3: 3.75579
  Sterimol/B4: 6.07655  Sterimol/L: 18.7329 
 
 Surface and Volume Properties
  Accessible surface: 597.991  Positive charged surface: 357.201  Negative charged surface: 240.79  Volume: 302.375
  Hydrophobic surface: 551.884  Hydrophilic surface: 46.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00739817
CHEMBRIDGE-ZINC02903663