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


IBS-ZINC02269418

 MMsINC code: MMs01819658
Type: Neutral
Formula: C16H22N2O4
SMILES:   OC(=O)C(NC(=O)CNC(=O)C(C)(C)C)Cc1ccccc1
InChI:   InChI=1/C16H22N2O4/c1-16(2,3)15(22)17-10-13(19)18-12(14(20)21)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,22)(H,18,19)(H,20,21)/t12-/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)=63.9578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.362 g/mol  logS: -2.37356  SlogP: 0.96077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867713  Sterimol/B1: 2.86232  Sterimol/B2: 4.37267  Sterimol/B3: 4.77886
  Sterimol/B4: 7.01297  Sterimol/L: 14.7483 
 
 Surface and Volume Properties
  Accessible surface: 578.033  Positive charged surface: 355.279  Negative charged surface: 222.754  Volume: 300.625
  Hydrophobic surface: 372.503  Hydrophilic surface: 205.53
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01819659
IBS-ZINC02269418