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


ACROSORGANICS-ZINC01690977

 MMsINC code: MMs00011089
Type: Neutral
Formula: C8H16O
SMILES:   OC1CCCCC1CC
InChI:   InChI=1/C8H16O/c1-2-7-5-3-4-6-8(7)9/h7-9H,2-6H2,1H3/t7-,8+/m1/s1

Download   format file 
Drug Similarity  |  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)=13.6539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.215 g/mol  logS: -1.57613  SlogP: 1.9475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194783  Sterimol/B1: 3.05006  Sterimol/B2: 3.16508  Sterimol/B3: 3.64372
  Sterimol/B4: 3.9277  Sterimol/L: 10.1316 
 
 Surface and Volume Properties
  Accessible surface: 323.117  Positive charged surface: 258.951  Negative charged surface: 64.1662  Volume: 147.375
  Hydrophobic surface: 265.571  Hydrophilic surface: 57.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.