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


PUBCHEM-ZINC05361679

 MMsINC code: MMs03248807
Type: Neutral
Formula: C16H25N3O6
SMILES:   OC(C(O)CNc1cc(C)c(NC(=O)C)cc1NC(=O)C)C(O)CO
InChI:   InChI=1/C16H25N3O6/c1-8-4-12(17-6-14(23)16(25)15(24)7-20)13(19-10(3)22)5-11(8)18-9(2)21/h4-5,14-17,20,23-25H,6-7H2,1-3H3,(H,18,21)(H,19,22)/t14-,15-,16+/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)=127.928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.391 g/mol  logS: -0.95055  SlogP: -0.60128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0320061  Sterimol/B1: 2.0318  Sterimol/B2: 2.94114  Sterimol/B3: 3.66256
  Sterimol/B4: 9.93228  Sterimol/L: 19.0878 
 
 Surface and Volume Properties
  Accessible surface: 635.088  Positive charged surface: 429.75  Negative charged surface: 205.338  Volume: 331.125
  Hydrophobic surface: 380.428  Hydrophilic surface: 254.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.