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


ACROSORGANICS-ZINC00968289

 MMsINC code: MMs00008397
Type: Neutral
Formula: C10H16O
SMILES:   O1C2CC(CCC12C)C(C)=C
InChI:   InChI=1/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m0/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)=29.9857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -2.17339  SlogP: 2.5201  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.186289  Sterimol/B1: 2.23869  Sterimol/B2: 3.26616  Sterimol/B3: 3.84938
  Sterimol/B4: 4.69867  Sterimol/L: 11.2294 
 
 Surface and Volume Properties
  Accessible surface: 361.356  Positive charged surface: 241.502  Negative charged surface: 119.854  Volume: 173.125
  Hydrophobic surface: 306.827  Hydrophilic surface: 54.529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.