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


CHEMDIV-ZINC00172528

 MMsINC code: MMs00835476
Type: Neutral
Formula: C11H9ClO2
SMILES:   Clc1ccc(cc1)-c1oc(cc1)CO
InChI:   InChI=1/C11H9ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7H2

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)=36.6588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.644 g/mol  logS: -4.03694  SlogP: 3.3587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169344  Sterimol/B1: 2.22478  Sterimol/B2: 2.76341  Sterimol/B3: 2.91451
  Sterimol/B4: 5.26834  Sterimol/L: 14.0786 
 
 Surface and Volume Properties
  Accessible surface: 412.479  Positive charged surface: 203.736  Negative charged surface: 208.743  Volume: 192.25
  Hydrophobic surface: 340.765  Hydrophilic surface: 71.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.