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


PUBCHEM-ZINC06411950

 MMsINC code: MMs03715144
Type: Neutral
Formula: C10H21NO5
SMILES:   O1C(CNC(CC)CO)C(O)C(O)C1OC
InChI:   InChI=1/C10H21NO5/c1-3-6(5-12)11-4-7-8(13)9(14)10(15-2)16-7/h6-14H,3-5H2,1-2H3/t6-,7+,8+,9-,10-/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)=70.9033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.28 g/mol  logS: 0.40631  SlogP: -1.56  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153316  Sterimol/B1: 2.13209  Sterimol/B2: 4.36988  Sterimol/B3: 5.43734
  Sterimol/B4: 5.46299  Sterimol/L: 12.1365 
 
 Surface and Volume Properties
  Accessible surface: 477.948  Positive charged surface: 384.099  Negative charged surface: 93.8486  Volume: 227.625
  Hydrophobic surface: 283.349  Hydrophilic surface: 194.599
 
 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


MMs03715145
PUBCHEM-ZINC06411950