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


NCID-ZINC05374122

 MMsINC code: MMs02456910
Type: Neutral
Formula: C8H17NO5
SMILES:   O1C(CO)C(OC)C(OC)C(N)C1O
InChI:   InChI=1/C8H17NO5/c1-12-6-4(3-10)14-8(11)5(9)7(6)13-2/h4-8,10-11H,3,9H2,1-2H3/t4-,5-,6-,7+,8+/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)=81.1195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.226 g/mol  logS: 0.66569  SlogP: -1.9468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237627  Sterimol/B1: 2.28036  Sterimol/B2: 3.19492  Sterimol/B3: 4.26116
  Sterimol/B4: 7.22922  Sterimol/L: 10.4194 
 
 Surface and Volume Properties
  Accessible surface: 400.334  Positive charged surface: 353.22  Negative charged surface: 47.1136  Volume: 191.875
  Hydrophobic surface: 244.576  Hydrophilic surface: 155.758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.