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


PUBCHEM-ZINC00570154

 MMsINC code: MMs02706305
Type: Neutral
Formula: C15H12O7
SMILES:   o1c(ccc1C(O)=O)-c1cc(cc(c1)C(OC)=O)C(OC)=O
InChI:   InChI=1/C15H12O7/c1-20-14(18)9-5-8(6-10(7-9)15(19)21-2)11-3-4-12(22-11)13(16)17/h3-7H,1-2H3,(H,16,17)

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)=59.5904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.254 g/mol  logS: -4.26449  SlogP: 2.218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00719006  Sterimol/B1: 1.97544  Sterimol/B2: 2.37533  Sterimol/B3: 2.37615
  Sterimol/B4: 9.51014  Sterimol/L: 15.6874 
 
 Surface and Volume Properties
  Accessible surface: 549.133  Positive charged surface: 356.861  Negative charged surface: 192.272  Volume: 265.875
  Hydrophobic surface: 358.293  Hydrophilic surface: 190.84
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02706306
PUBCHEM-ZINC00570154