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


NCID-ZINC05373191

 MMsINC code: MMs02456664
Type: Neutral
Formula: C14H25NO5
SMILES:   O1C(C)C(O)C(N)CC1OC1CC(O)(CCC1)C(=O)C
InChI:   InChI=1/C14H25NO5/c1-8-13(17)11(15)6-12(19-8)20-10-4-3-5-14(18,7-10)9(2)16/h8,10-13,17-18H,3-7,15H2,1-2H3/t8-,10-,11-,12+,13+,14-/m1/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)=62.8973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.356 g/mol  logS: -1.01528  SlogP: 0.0888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111521  Sterimol/B1: 1.969  Sterimol/B2: 2.79495  Sterimol/B3: 5.01425
  Sterimol/B4: 6.7752  Sterimol/L: 15.0169 
 
 Surface and Volume Properties
  Accessible surface: 530.127  Positive charged surface: 385.589  Negative charged surface: 144.537  Volume: 276.125
  Hydrophobic surface: 354.803  Hydrophilic surface: 175.324
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02456665
NCID-ZINC05373191