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


PUBCHEM-ZINC00404084

 MMsINC code: MMs02676606
Type: Neutral
Formula: C10H19NO4
SMILES:   OC1CC(N(C1)C(OC(C)(C)C)=O)CO
InChI:   InChI=1/C10H19NO4/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12/h7-8,12-13H,4-6H2,1-3H3/t7-,8-/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)=65.1136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -0.6611  SlogP: 0.349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11842  Sterimol/B1: 2.36246  Sterimol/B2: 4.52734  Sterimol/B3: 4.87368
  Sterimol/B4: 4.98858  Sterimol/L: 11.821 
 
 Surface and Volume Properties
  Accessible surface: 436.827  Positive charged surface: 345.098  Negative charged surface: 91.7287  Volume: 213.5
  Hydrophobic surface: 287.116  Hydrophilic surface: 149.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.