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


IBS-ZINC01835765

 MMsINC code: MMs01778459
Type: Neutral
Formula: C9H20ClOP
SMILES:   ClCP(=O)(CCCC)CCCC
InChI:   InChI=1/C9H20ClOP/c1-3-5-7-12(11,9-10)8-6-4-2/h3-9H2,1-2H3

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)=7.64299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.685 g/mol  logS: -1.66144  SlogP: 3.0758  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0611623  Sterimol/B1: 3.16315  Sterimol/B2: 3.19926  Sterimol/B3: 4.16919
  Sterimol/B4: 4.4594  Sterimol/L: 15.2099 
 
 Surface and Volume Properties
  Accessible surface: 452.775  Positive charged surface: 301.439  Negative charged surface: 151.336  Volume: 219.875
  Hydrophobic surface: 325.271  Hydrophilic surface: 127.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.