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


PUBCHEM-ZINC02770674

 MMsINC code: MMs02921268
Type: Neutral
Formula: C11H19Br2NO
SMILES:   BrC1(Br)CC1(C(=O)NC(C(C)(C)C)C)C
InChI:   InChI=1/C11H19Br2NO/c1-7(9(2,3)4)14-8(15)10(5)6-11(10,12)13/h7H,6H2,1-5H3,(H,14,15)/t7-,10-/m0/s1

Download   format file 
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)=43.6951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.087 g/mol  logS: -3.57472  SlogP: 3.8532  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.154489  Sterimol/B1: 2.85392  Sterimol/B2: 3.72051  Sterimol/B3: 3.77917
  Sterimol/B4: 5.79179  Sterimol/L: 12.7716 
 
 Surface and Volume Properties
  Accessible surface: 466.374  Positive charged surface: 209.667  Negative charged surface: 256.708  Volume: 265
  Hydrophobic surface: 359.523  Hydrophilic surface: 106.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.