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


NCID-ZINC01570998

 MMsINC code: MMs02231213
Type: Neutral
Formula: C13H25NO3
SMILES:   OC(=O)C(NC(=O)C)CCC(CC(C)(C)C)C
InChI:   InChI=1/C13H25NO3/c1-9(8-13(3,4)5)6-7-11(12(16)17)14-10(2)15/h9,11H,6-8H2,1-5H3,(H,14,15)(H,16,17)/t9-,11-/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)=70.2389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.347 g/mol  logS: -3.90183  SlogP: 2.4282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104916  Sterimol/B1: 1.969  Sterimol/B2: 4.80243  Sterimol/B3: 4.99271
  Sterimol/B4: 5.12702  Sterimol/L: 13.9281 
 
 Surface and Volume Properties
  Accessible surface: 501.935  Positive charged surface: 330.869  Negative charged surface: 171.065  Volume: 257.875
  Hydrophobic surface: 307.131  Hydrophilic surface: 194.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02231214
NCID-ZINC01570998