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


CHEMBRIDGE-ZINC00316176

 MMsINC code: MMs00607640
Type: Neutral
Formula: C11H10BrNO2
SMILES:   BrC=1C(=O)c2c(NC=1C)c(OC)ccc2
InChI:   InChI=1/C11H10BrNO2/c1-6-9(12)11(14)7-4-3-5-8(15-2)10(7)13-6/h3-5H,1-2H3,(H,13,14)

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)=73.7661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.11 g/mol  logS: -3.42328  SlogP: 3.0387  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0183812  Sterimol/B1: 2.37512  Sterimol/B2: 2.37563  Sterimol/B3: 2.81074
  Sterimol/B4: 6.58588  Sterimol/L: 11.814 
 
 Surface and Volume Properties
  Accessible surface: 414.063  Positive charged surface: 224.902  Negative charged surface: 189.161  Volume: 209.375
  Hydrophobic surface: 360.502  Hydrophilic surface: 53.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.