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


ACROSORGANICS-ZINC03831028

 MMsINC code: MMs00015183
Type: Neutral
Formula: C7H17NO5
SMILES:   OC(C(O)C(O)CO)C(O)CNC
InChI:   InChI=1/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,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)=76.5232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.215 g/mol  logS: 1.65522  SlogP: -3.3583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551754  Sterimol/B1: 2.90479  Sterimol/B2: 3.02232  Sterimol/B3: 3.23195
  Sterimol/B4: 3.68572  Sterimol/L: 14.3032 
 
 Surface and Volume Properties
  Accessible surface: 399.156  Positive charged surface: 321.402  Negative charged surface: 77.7534  Volume: 181.5
  Hydrophobic surface: 200.815  Hydrophilic surface: 198.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00015184
ACROSORGANICS-ZINC03831028