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


NCID-ZINC01713302

 MMsINC code: MMs02339846
Type: Neutral
Formula: C7H16ClO4P
SMILES:   ClCP(OC(C)C)(OCCCO)=O
InChI:   InChI=1/C7H16ClO4P/c1-7(2)12-13(10,6-8)11-5-3-4-9/h7,9H,3-6H2,1-2H3/t13-/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)=17.3256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.628 g/mol  logS: -0.73581  SlogP: 1.1296  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.135495  Sterimol/B1: 2.67611  Sterimol/B2: 2.97178  Sterimol/B3: 4.77112
  Sterimol/B4: 7.12219  Sterimol/L: 12.0876 
 
 Surface and Volume Properties
  Accessible surface: 447.194  Positive charged surface: 283.998  Negative charged surface: 163.195  Volume: 204.5
  Hydrophobic surface: 255.468  Hydrophilic surface: 191.726
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.