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


PUBCHEM-ZINC04530793

 MMsINC code: MMs03129632
Type: Neutral
Formula: C14H17NO5
SMILES:   O1C(OC)C(NC(=O)c2ccccc2)C2OC2C1CO
InChI:   InChI=1/C14H17NO5/c1-18-14-10(12-11(20-12)9(7-16)19-14)15-13(17)8-5-3-2-4-6-8/h2-6,9-12,14,16H,7H2,1H3,(H,15,17)/t9-,10+,11-,12+,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)=77.1683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.292 g/mol  logS: -1.9348  SlogP: -0.084  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.175946  Sterimol/B1: 2.14862  Sterimol/B2: 3.07428  Sterimol/B3: 5.47157
  Sterimol/B4: 7.34046  Sterimol/L: 13.2664 
 
 Surface and Volume Properties
  Accessible surface: 508.202  Positive charged surface: 344.083  Negative charged surface: 164.119  Volume: 259
  Hydrophobic surface: 402.769  Hydrophilic surface: 105.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.