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


FDA-ZINC01530753

 MMsINC code: MMs01725544
Type: Neutral
Formula: C10H16Br2N2O2
SMILES:   BrCCC(=O)N1CCN(CC1)C(=O)CCBr
InChI:   InChI=1/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2

Download   format file 
Drug Similarity  
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)=30.2356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.058 g/mol  logS: -1.82344  SlogP: 1.2272  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0539991  Sterimol/B1: 2.32044  Sterimol/B2: 2.48772  Sterimol/B3: 3.51949
  Sterimol/B4: 6.15954  Sterimol/L: 16.0124 
 
 Surface and Volume Properties
  Accessible surface: 508.618  Positive charged surface: 272.024  Negative charged surface: 236.594  Volume: 262
  Hydrophobic surface: 256.14  Hydrophilic surface: 252.478
 
 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.