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


MDPI-ZINC03847891

 MMsINC code: MMs02181409
Type: Neutral
Formula: C15H10O4
SMILES:   O1C(OC(=O)c2ccccc2)c2c(cccc2)C1=O
InChI:   InChI=1/C15H10O4/c16-13(10-6-2-1-3-7-10)18-15-12-9-5-4-8-11(12)14(17)19-15/h1-9,15H/t15-/m0/s1

Download   format file 
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)=50.7528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.241 g/mol  logS: -3.94581  SlogP: 2.8081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625391  Sterimol/B1: 2.96408  Sterimol/B2: 3.13827  Sterimol/B3: 3.76714
  Sterimol/B4: 5.46426  Sterimol/L: 14.482 
 
 Surface and Volume Properties
  Accessible surface: 472.291  Positive charged surface: 239.032  Negative charged surface: 233.258  Volume: 232.625
  Hydrophobic surface: 370.206  Hydrophilic surface: 102.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.