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


PUBCHEM-ZINC06613555

 MMsINC code: MMs03818615
Type: Neutral
Formula: C5H11NO2
SMILES:   OC1CCNCC1O
InChI:   InChI=1/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5+/m1/s1

Download   format file 
Drug Similarity  |  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)=23.8416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 117.148 g/mol  logS: 0.69699  SlogP: -1.2985  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.320647  Sterimol/B1: 2.56655  Sterimol/B2: 3.04423  Sterimol/B3: 3.68237
  Sterimol/B4: 4.48671  Sterimol/L: 8.38873 
 
 Surface and Volume Properties
  Accessible surface: 285.31  Positive charged surface: 238.757  Negative charged surface: 46.5525  Volume: 115.5
  Hydrophobic surface: 164.426  Hydrophilic surface: 120.884
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03818616
PUBCHEM-ZINC06613555