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


PUBCHEM-ZINC06564142

 MMsINC code: MMs03798276
Type: Neutral
Formula: C14H24N2O5
SMILES:   O=C1N(CCC1NC(OC(C)(C)C)=O)C(C(C)C)C(O)=O
InChI:   InChI=1/C14H24N2O5/c1-8(2)10(12(18)19)16-7-6-9(11(16)17)15-13(20)21-14(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,20)(H,18,19)/t9-,10-/m0/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)=62.8354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.355 g/mol  logS: -1.96534  SlogP: 1.2212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123666  Sterimol/B1: 2.21568  Sterimol/B2: 3.69332  Sterimol/B3: 4.96485
  Sterimol/B4: 6.93323  Sterimol/L: 14.8019 
 
 Surface and Volume Properties
  Accessible surface: 541.571  Positive charged surface: 383.094  Negative charged surface: 158.477  Volume: 288.375
  Hydrophobic surface: 323.998  Hydrophilic surface: 217.573
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03798277
PUBCHEM-ZINC06564142