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


PUBCHEM-ZINC04530919

 MMsINC code: MMs03129734
Type: Neutral
Formula: C15H19NO6
SMILES:   O1C2C(OC(OC2)c2ccccc2)C(O)C(NC=O)C1OC
InChI:   InChI=1/C15H19NO6/c1-19-15-11(16-8-17)12(18)13-10(21-15)7-20-14(22-13)9-5-3-2-4-6-9/h2-6,8,10-15,18H,7H2,1H3,(H,16,17)/t10-,11-,12-,13-,14-,15-/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)=80.3279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.318 g/mol  logS: -1.85445  SlogP: 0.0429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506109  Sterimol/B1: 2.54168  Sterimol/B2: 2.56168  Sterimol/B3: 3.86469
  Sterimol/B4: 6.5858  Sterimol/L: 15.6498 
 
 Surface and Volume Properties
  Accessible surface: 536.538  Positive charged surface: 391.07  Negative charged surface: 145.468  Volume: 279
  Hydrophobic surface: 408.872  Hydrophilic surface: 127.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: no related molecules available.