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


CHEMBRIDGE-ZINC02890965

 MMsINC code: MMs00736717
Type: Neutral
Formula: C17H26ClNO2
SMILES:   Clc1ccc(cc1)C(O)(CCCC)CCN1CCOCC1
InChI:   InChI=1/C17H26ClNO2/c1-2-3-8-17(20,15-4-6-16(18)7-5-15)9-10-19-11-13-21-14-12-19/h4-7,20H,2-3,8-14H2,1H3/t17-/m1/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)=78.8819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.853 g/mol  logS: -3.84075  SlogP: 3.7516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116603  Sterimol/B1: 2.34771  Sterimol/B2: 3.13301  Sterimol/B3: 4.69489
  Sterimol/B4: 9.69438  Sterimol/L: 14.3087 
 
 Surface and Volume Properties
  Accessible surface: 573.949  Positive charged surface: 400.652  Negative charged surface: 173.297  Volume: 313.75
  Hydrophobic surface: 506.204  Hydrophilic surface: 67.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00736718
CHEMBRIDGE-ZINC02890965