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


ASINEX-ZINC00307760

 MMsINC code: MMs00115329
Type: Neutral
Formula: C10H8O5
SMILES:   O1C(c2c(cc(O)cc2)C1=O)CC(O)=O
InChI:   InChI=1/C10H8O5/c11-5-1-2-6-7(3-5)10(14)15-8(6)4-9(12)13/h1-3,8,11H,4H2,(H,12,13)/t8-/m1/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)=25.4342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.169 g/mol  logS: -1.40482  SlogP: 1.1739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0490428  Sterimol/B1: 2.43185  Sterimol/B2: 2.9124  Sterimol/B3: 3.07963
  Sterimol/B4: 6.46045  Sterimol/L: 12.9167 
 
 Surface and Volume Properties
  Accessible surface: 381.653  Positive charged surface: 214.352  Negative charged surface: 167.301  Volume: 174.875
  Hydrophobic surface: 168.742  Hydrophilic surface: 212.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00115330
ASINEX-ZINC00307760