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


NCID-ZINC05004704

 MMsINC code: MMs02426929
Type: Neutral
Formula: C7H15NO5
SMILES:   O1C(CN)C(O)C(O)C(O)C1OC
InChI:   InChI=1/C7H15NO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2,8H2,1H3/t3-,4+,5+,6+,7+/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)=70.0609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.199 g/mol  logS: 1.01087  SlogP: -2.6009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244312  Sterimol/B1: 2.19432  Sterimol/B2: 2.8201  Sterimol/B3: 4.00812
  Sterimol/B4: 6.71578  Sterimol/L: 10.082 
 
 Surface and Volume Properties
  Accessible surface: 372.894  Positive charged surface: 317.399  Negative charged surface: 55.4952  Volume: 174.25
  Hydrophobic surface: 184.582  Hydrophilic surface: 188.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02426930
NCID-ZINC05004704