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


ACROSORGANICS-ZINC03860967

 MMsINC code: MMs00015677
Type: Neutral
Formula: C10H12O
SMILES:   OC1CCCc2c1cccc2
InChI:   InChI=1/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2/t10-/m0/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)=31.549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.205 g/mol  logS: -2.05676  SlogP: 2.15177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878173  Sterimol/B1: 2.85586  Sterimol/B2: 2.98585  Sterimol/B3: 3.25383
  Sterimol/B4: 5.21862  Sterimol/L: 9.71449 
 
 Surface and Volume Properties
  Accessible surface: 336.545  Positive charged surface: 214.528  Negative charged surface: 122.017  Volume: 155.75
  Hydrophobic surface: 295.502  Hydrophilic surface: 41.043
 
 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.