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


PUBCHEM-ZINC04533058

 MMsINC code: MMs03130546
Type: Neutral
Formula: C10H21NO7
SMILES:   OC(C(O)C(O)C(=O)NCCC)C(O)C(O)CO
InChI:   InChI=1/C10H21NO7/c1-2-3-11-10(18)9(17)8(16)7(15)6(14)5(13)4-12/h5-9,12-17H,2-4H2,1H3,(H,11,18)/t5-,6-,7-,8+,9-/m1/s1

Download   format file 
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)=91.5798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.278 g/mol  logS: 0.92315  SlogP: -3.6906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473453  Sterimol/B1: 2.57066  Sterimol/B2: 2.69354  Sterimol/B3: 3.72473
  Sterimol/B4: 5.71805  Sterimol/L: 16.4605 
 
 Surface and Volume Properties
  Accessible surface: 494.089  Positive charged surface: 352.704  Negative charged surface: 141.385  Volume: 241
  Hydrophobic surface: 231.149  Hydrophilic surface: 262.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.