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


NCID-ZINC01687024

 MMsINC code: MMs02319775
Type: Neutral
Formula: C6H13NO2
SMILES:   O(CCCC)C(=O)NC
InChI:   InChI=1/C6H13NO2/c1-3-4-5-9-6(8)7-2/h3-5H2,1-2H3,(H,7,8)

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)=-16.1343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 131.175 g/mol  logS: -0.88413  SlogP: 1.1425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350989  Sterimol/B1: 2.37506  Sterimol/B2: 2.37613  Sterimol/B3: 2.5979
  Sterimol/B4: 3.39503  Sterimol/L: 13.1858 
 
 Surface and Volume Properties
  Accessible surface: 349.511  Positive charged surface: 284.273  Negative charged surface: 65.2382  Volume: 140.25
  Hydrophobic surface: 254.286  Hydrophilic surface: 95.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.