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


NCID-ZINC01760426

 MMsINC code: MMs02366946
Type: Neutral
Formula: C8H10O2
SMILES:   Oc1ccc(cc1CO)C
InChI:   InChI=1/C8H10O2/c1-6-2-3-8(10)7(4-6)5-9/h2-4,9-10H,5H2,1H3

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)=26.9364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.166 g/mol  logS: -1.26787  SlogP: 1.45932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412238  Sterimol/B1: 2.22234  Sterimol/B2: 2.52586  Sterimol/B3: 2.92465
  Sterimol/B4: 5.53582  Sterimol/L: 9.32037 
 
 Surface and Volume Properties
  Accessible surface: 328.967  Positive charged surface: 216.567  Negative charged surface: 112.399  Volume: 141.5
  Hydrophobic surface: 230.039  Hydrophilic surface: 98.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.