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


NCID-ZINC01724686

 MMsINC code: MMs02348642
Type: Neutral
Formula: C11H21NO2
SMILES:   OC(=O)C(NC)CCC1CCCCC1
InChI:   InChI=1/C11H21NO2/c1-12-10(11(13)14)8-7-9-5-3-2-4-6-9/h9-10,12H,2-8H2,1H3,(H,13,14)/t10-/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)=26.8937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -2.87158  SlogP: 2.0195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11556  Sterimol/B1: 2.13563  Sterimol/B2: 2.83628  Sterimol/B3: 3.8601
  Sterimol/B4: 5.99066  Sterimol/L: 12.7724 
 
 Surface and Volume Properties
  Accessible surface: 433.929  Positive charged surface: 349.123  Negative charged surface: 84.8062  Volume: 214.75
  Hydrophobic surface: 332.224  Hydrophilic surface: 101.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: no related molecules available.