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


NCID-ZINC01665724

 MMsINC code: MMs02301870
Type: Neutral
Formula: C10H11Br2OP
SMILES:   BrC1CP(=O)(CC1Br)c1ccccc1
InChI:   InChI=1/C10H11Br2OP/c11-9-6-14(13,7-10(9)12)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10-/m1/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)=40.3853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.979 g/mol  logS: -3.26202  SlogP: 2.9852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131583  Sterimol/B1: 3.42328  Sterimol/B2: 3.80729  Sterimol/B3: 4.05051
  Sterimol/B4: 4.092  Sterimol/L: 12.8817 
 
 Surface and Volume Properties
  Accessible surface: 448.233  Positive charged surface: 159.56  Negative charged surface: 288.672  Volume: 234.625
  Hydrophobic surface: 260.482  Hydrophilic surface: 187.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.