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


ACROSORGANICS-ZINC01589953

 MMsINC code: MMs00009659
Type: Neutral
Formula: C10H10O
SMILES:   O=C(\C=C\c1ccccc1)C
InChI:   InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

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)=36.2118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.189 g/mol  logS: -2.20297  SlogP: 2.2888  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00899719  Sterimol/B1: 2.3747  Sterimol/B2: 2.37541  Sterimol/B3: 3.576
  Sterimol/B4: 4.26246  Sterimol/L: 12.4184 
 
 Surface and Volume Properties
  Accessible surface: 358.139  Positive charged surface: 186.018  Negative charged surface: 172.122  Volume: 159.5
  Hydrophobic surface: 318.165  Hydrophilic surface: 39.974
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.