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


NCID-ZINC01719920

 MMsINC code: MMs02344944
Type: Neutral
Formula: C10H14ClO3P
SMILES:   Clc1cc(P(OCC)(OCC)=O)ccc1
InChI:   InChI=1/C10H14ClO3P/c1-3-13-15(12,14-4-2)10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3

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)=21.3494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.646 g/mol  logS: -2.82395  SlogP: 2.1612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829523  Sterimol/B1: 2.23602  Sterimol/B2: 3.12269  Sterimol/B3: 4.13267
  Sterimol/B4: 8.21238  Sterimol/L: 11.9527 
 
 Surface and Volume Properties
  Accessible surface: 476.349  Positive charged surface: 255.427  Negative charged surface: 220.922  Volume: 221.375
  Hydrophobic surface: 395.328  Hydrophilic surface: 81.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.