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


NCID-ZINC01623624

 MMsINC code: MMs02270927
Type: Neutral
Formula: C9H15NO4
SMILES:   O1CCN(CC1)C(=O)CCC(OC)=O
InChI:   InChI=1/C9H15NO4/c1-13-9(12)3-2-8(11)10-4-6-14-7-5-10/h2-7H2,1H3

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)=31.5819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.222 g/mol  logS: -0.12061  SlogP: -0.2016  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0492712  Sterimol/B1: 2.90104  Sterimol/B2: 3.32158  Sterimol/B3: 3.90464
  Sterimol/B4: 4.1118  Sterimol/L: 14.3452 
 
 Surface and Volume Properties
  Accessible surface: 413.298  Positive charged surface: 341.773  Negative charged surface: 71.525  Volume: 190.875
  Hydrophobic surface: 327.079  Hydrophilic surface: 86.219
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.