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


PUBCHEM-ZINC06412515

 MMsINC code: MMs03715684
Type: Neutral
Formula: C10H21NO5
SMILES:   O1C(CNC(CC)CO)C(O)C(O)C1CO
InChI:   InChI=1/C10H21NO5/c1-2-6(4-12)11-3-7-9(14)10(15)8(5-13)16-7/h6-15H,2-5H2,1H3/t6-,7+,8-,9-,10-/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)=77.6602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.28 g/mol  logS: 0.63222  SlogP: -2.1716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102264  Sterimol/B1: 2.55228  Sterimol/B2: 3.41175  Sterimol/B3: 3.57144
  Sterimol/B4: 6.47906  Sterimol/L: 12.1283 
 
 Surface and Volume Properties
  Accessible surface: 479.282  Positive charged surface: 383.896  Negative charged surface: 95.3861  Volume: 227.5
  Hydrophobic surface: 256.405  Hydrophilic surface: 222.877
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03715685
PUBCHEM-ZINC06412515