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


PUBCHEM-ZINC06158132

 MMsINC code: MMs03569145
Type: Neutral
Formula: C11H21NO5
SMILES:   O1CC(O)C(O)C(O)C1(O)CN1CCCCC1
InChI:   InChI=1/C11H21NO5/c13-8-6-17-11(16,10(15)9(8)14)7-12-4-2-1-3-5-12/h8-10,13-16H,1-7H2/t8-,9-,10+,11+/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)=78.5573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.291 g/mol  logS: 0.22014  SlogP: -1.7262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112202  Sterimol/B1: 3.20821  Sterimol/B2: 3.22826  Sterimol/B3: 3.61825
  Sterimol/B4: 4.57352  Sterimol/L: 12.8301 
 
 Surface and Volume Properties
  Accessible surface: 446.364  Positive charged surface: 373.4  Negative charged surface: 72.9636  Volume: 229.125
  Hydrophobic surface: 298.793  Hydrophilic surface: 147.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03569146
PUBCHEM-ZINC06158132