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


ACROSORGANICS-ZINC00185722

 MMsINC code: MMs00006480
Type: Neutral
Formula: C10H9NO3
SMILES:   Oc1cc2c([nH]cc2CC(O)=O)cc1
InChI:   InChI=1/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)

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)=27.2934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.186 g/mol  logS: -1.3437  SlogP: 1.50057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0761925  Sterimol/B1: 3.05615  Sterimol/B2: 3.20165  Sterimol/B3: 4.14325
  Sterimol/B4: 4.7829  Sterimol/L: 11.3384 
 
 Surface and Volume Properties
  Accessible surface: 376.811  Positive charged surface: 225.105  Negative charged surface: 148.125  Volume: 174.25
  Hydrophobic surface: 188.14  Hydrophilic surface: 188.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs00006481
ACROSORGANICS-ZINC00185722