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


ACROSORGANICS-ZINC00043476

 MMsINC code: MMs00003006
Type: Ionized
Formula: C14H9O3-
SMILES:   OC1(c2c(-c3c1cccc3)cccc2)C(=O)[O-]
InChI:   InChI=1/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)/p-1

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)=85.3233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.223 g/mol  logS: -3.96097  SlogP: 0.9643  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618468  Sterimol/B1: 2.81041  Sterimol/B2: 3.20629  Sterimol/B3: 3.97227
  Sterimol/B4: 7.08291  Sterimol/L: 11.9941 
 
 Surface and Volume Properties
  Accessible surface: 400.728  Positive charged surface: 174.854  Negative charged surface: 216.873  Volume: 207.25
  Hydrophobic surface: 297.209  Hydrophilic surface: 103.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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:  
   
Parent related molecule:


MMs00003005
ACROSORGANICS-ZINC00043476