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


CHEMBRIDGE-ZINC02810079

 MMsINC code: MMs00716843
Type: Neutral
Formula: C10H23PS
SMILES:   S=P(C(C)C)(C(C)C)CCCC
InChI:   InChI=1/C10H23PS/c1-6-7-8-11(12,9(2)3)10(4)5/h9-10H,6-8H2,1-5H3

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)=35.1974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.334 g/mol  logS: -2.70858  SlogP: 4.0828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154194  Sterimol/B1: 3.95348  Sterimol/B2: 4.09215  Sterimol/B3: 4.44465
  Sterimol/B4: 4.90532  Sterimol/L: 12.5223 
 
 Surface and Volume Properties
  Accessible surface: 431.404  Positive charged surface: 284.759  Negative charged surface: 146.646  Volume: 229.75
  Hydrophobic surface: 296.344  Hydrophilic surface: 135.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.