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


PUBCHEM-ZINC05822194

 MMsINC code: MMs03401187
Type: Neutral
Formula: C8H17ClO
SMILES:   ClC(CCCC)CCCO
InChI:   InChI=1/C8H17ClO/c1-2-3-5-8(9)6-4-7-10/h8,10H,2-7H2,1H3/t8-/m1/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)=6.55984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.676 g/mol  logS: -2.11624  SlogP: 2.9764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486258  Sterimol/B1: 2.4799  Sterimol/B2: 3.08397  Sterimol/B3: 3.48141
  Sterimol/B4: 3.56325  Sterimol/L: 14.4007 
 
 Surface and Volume Properties
  Accessible surface: 397.873  Positive charged surface: 281.116  Negative charged surface: 116.758  Volume: 177.125
  Hydrophobic surface: 269.328  Hydrophilic surface: 128.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.