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


PUBCHEM-ZINC02171775

 MMsINC code: MMs02880350
Type: Neutral
Formula: C4H11NO
SMILES:   OC(CNC)C
InChI:   InChI=1/C4H11NO/c1-4(6)3-5-2/h4-6H,3H2,1-2H3/t4-/m0/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)=10.9147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 89.138 g/mol  logS: 0.51785  SlogP: -0.4134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0983413  Sterimol/B1: 2.42319  Sterimol/B2: 2.59529  Sterimol/B3: 2.91278
  Sterimol/B4: 3.94536  Sterimol/L: 9.6135 
 
 Surface and Volume Properties
  Accessible surface: 280  Positive charged surface: 236.614  Negative charged surface: 43.3861  Volume: 103.25
  Hydrophobic surface: 190.375  Hydrophilic surface: 89.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02880351
PUBCHEM-ZINC02171775