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


ACROSORGANICS-ZINC00388368

 MMsINC code: MMs00006977
Type: Neutral
Formula: C7H7ClO
SMILES:   Clc1cc(OC)ccc1
InChI:   InChI=1/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

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)=26.7962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.585 g/mol  logS: -2.16955  SlogP: 2.3486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0227297  Sterimol/B1: 2.37482  Sterimol/B2: 2.37528  Sterimol/B3: 3.93465
  Sterimol/B4: 5.09879  Sterimol/L: 9.86855 
 
 Surface and Volume Properties
  Accessible surface: 315.565  Positive charged surface: 167.443  Negative charged surface: 148.122  Volume: 133.625
  Hydrophobic surface: 304.784  Hydrophilic surface: 10.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.