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


NCID-ZINC01607340

 MMsINC code: MMs02259144
Type: Neutral
Formula: C7H13Cl2N2O4P
SMILES:   ClCCN(P1(OCC(N1)C(O)=O)=O)CCCl
InChI:   InChI=1/C7H13Cl2N2O4P/c8-1-3-11(4-2-9)16(14)10-6(5-15-16)7(12)13/h6H,1-5H2,(H,10,14)(H,12,13)/t6-,16+/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)=5.49511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.071 g/mol  logS: -0.50222  SlogP: -0.1231  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.106681  Sterimol/B1: 2.43262  Sterimol/B2: 3.79135  Sterimol/B3: 4.74028
  Sterimol/B4: 6.27742  Sterimol/L: 13.7017 
 
 Surface and Volume Properties
  Accessible surface: 459.482  Positive charged surface: 221.293  Negative charged surface: 238.189  Volume: 223.5
  Hydrophobic surface: 161.589  Hydrophilic surface: 297.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02259145
NCID-ZINC01607340