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


ASINEX-ZINC02894714

 MMsINC code: MMs00280383
Type: Neutral
Formula: C9H11BrO2
SMILES:   BrCCOc1cc(OC)ccc1
InChI:   InChI=1/C9H11BrO2/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,5-6H2,1H3

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)=42.8894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.089 g/mol  logS: -2.57917  SlogP: 2.4689  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0301761  Sterimol/B1: 2.4906  Sterimol/B2: 3.10934  Sterimol/B3: 3.65769
  Sterimol/B4: 4.97027  Sterimol/L: 13.0388 
 
 Surface and Volume Properties
  Accessible surface: 408.835  Positive charged surface: 240.315  Negative charged surface: 168.521  Volume: 188.125
  Hydrophobic surface: 304.227  Hydrophilic surface: 104.608
 
 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: no related molecules available.