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


PUBCHEM-ZINC04776207

 MMsINC code: MMs03169719
Type: Neutral
Formula: C14H18O7
SMILES:   O1C2(O)C(OC(OC)C(O)C2O)COC1c1ccccc1
InChI:   InChI=1/C14H18O7/c1-18-13-10(15)11(16)14(17)9(20-13)7-19-12(21-14)8-5-3-2-4-6-8/h2-6,9-13,15-17H,7H2,1H3/t9-,10+,11-,12-,13+,14-/m0/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)=90.6701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.291 g/mol  logS: -1.43648  SlogP: -0.3908  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137722  Sterimol/B1: 2.48641  Sterimol/B2: 2.55432  Sterimol/B3: 5.23997
  Sterimol/B4: 6.65863  Sterimol/L: 14.3966 
 
 Surface and Volume Properties
  Accessible surface: 500.763  Positive charged surface: 362.2  Negative charged surface: 138.563  Volume: 261.625
  Hydrophobic surface: 373.508  Hydrophilic surface: 127.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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


MMs03169720
PUBCHEM-ZINC04776207