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


ACROSORGANICS-ZINC03861252

 MMsINC code: MMs00015792
Type: Neutral
Formula: C11H12O
SMILES:   O=C1c2c(CCC1C)cccc2
InChI:   InChI=1/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3/t8-/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)=31.829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.216 g/mol  logS: -2.47257  SlogP: 2.45157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0572107  Sterimol/B1: 2.88232  Sterimol/B2: 2.99624  Sterimol/B3: 3.4315
  Sterimol/B4: 4.76251  Sterimol/L: 11.2189 
 
 Surface and Volume Properties
  Accessible surface: 352.242  Positive charged surface: 223.559  Negative charged surface: 128.683  Volume: 170.375
  Hydrophobic surface: 300.173  Hydrophilic surface: 52.069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.