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


NCID-ZINC01593007

 MMsINC code: MMs02247326
Type: Neutral
Formula: C7H15NO2
SMILES:   O(CCN(C(=O)C)CC)C
InChI:   InChI=1/C7H15NO2/c1-4-8(7(2)9)5-6-10-3/h4-6H2,1-3H3

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)=26.7911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.202 g/mol  logS: -0.13433  SlogP: 0.5012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143477  Sterimol/B1: 2.38251  Sterimol/B2: 2.85645  Sterimol/B3: 3.5933
  Sterimol/B4: 5.41203  Sterimol/L: 10.6417 
 
 Surface and Volume Properties
  Accessible surface: 357.052  Positive charged surface: 291.103  Negative charged surface: 65.9483  Volume: 158.125
  Hydrophobic surface: 303.119  Hydrophilic surface: 53.933
 
 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.