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


NCID-ZINC01656027

 MMsINC code: MMs02294540
Type: Neutral
Formula: C10H19NO2
SMILES:   OC1(CC(CCC1)C)CNC(=O)C
InChI:   InChI=1/C10H19NO2/c1-8-4-3-5-10(13,6-8)7-11-9(2)12/h8,13H,3-7H2,1-2H3,(H,11,12)/t8-,10+/m0/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)=44.7568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.55429  SlogP: 1.0637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146608  Sterimol/B1: 1.969  Sterimol/B2: 3.00464  Sterimol/B3: 4.56419
  Sterimol/B4: 4.88093  Sterimol/L: 12.2375 
 
 Surface and Volume Properties
  Accessible surface: 400.03  Positive charged surface: 291.404  Negative charged surface: 108.626  Volume: 194.5
  Hydrophobic surface: 314.277  Hydrophilic surface: 85.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.