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


ACROSORGANICS-ZINC00164557

 MMsINC code: MMs00006197
Type: Neutral
Formula: C7H7ClO
SMILES:   Clc1cc(ccc1)CO
InChI:   InChI=1/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2

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)=20.4824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.585 g/mol  logS: -1.89019  SlogP: 2.0987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549063  Sterimol/B1: 2.37383  Sterimol/B2: 2.44777  Sterimol/B3: 2.73676
  Sterimol/B4: 5.88996  Sterimol/L: 9.67769 
 
 Surface and Volume Properties
  Accessible surface: 316.548  Positive charged surface: 156.521  Negative charged surface: 160.026  Volume: 132.625
  Hydrophobic surface: 252.766  Hydrophilic surface: 63.782
 
 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.