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


NCID-ZINC01694357

 MMsINC code: MMs02325578
Type: Neutral
Formula: C13H25NO3
SMILES:   O(C(=O)CCC(=O)N(C(C)C)C(C)C)CCC
InChI:   InChI=1/C13H25NO3/c1-6-9-17-13(16)8-7-12(15)14(10(2)3)11(4)5/h10-11H,6-9H2,1-5H3

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)=22.6469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.347 g/mol  logS: -1.66695  SlogP: 2.3652  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.063734  Sterimol/B1: 3.6199  Sterimol/B2: 3.63251  Sterimol/B3: 4.15052
  Sterimol/B4: 4.26103  Sterimol/L: 15.9102 
 
 Surface and Volume Properties
  Accessible surface: 518.152  Positive charged surface: 372.315  Negative charged surface: 145.838  Volume: 265.25
  Hydrophobic surface: 369.164  Hydrophilic surface: 148.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.