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


ENAMINE-ZINC04466507

 MMsINC code: MMs01539342
Type: Neutral
Formula: C5H10N2S
SMILES:   S1C(CN(C)C1=N)C
InChI:   InChI=1/C5H10N2S/c1-4-3-7(2)5(6)8-4/h4,6H,3H2,1-2H3/b6-5-/t4-/m0/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)=-1.80211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.215 g/mol  logS: -1.38177  SlogP: 0.98827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132278  Sterimol/B1: 2.47684  Sterimol/B2: 3.47929  Sterimol/B3: 3.54033
  Sterimol/B4: 4.10438  Sterimol/L: 9.30324 
 
 Surface and Volume Properties
  Accessible surface: 307.219  Positive charged surface: 225.098  Negative charged surface: 82.121  Volume: 129.5
  Hydrophobic surface: 181.312  Hydrophilic surface: 125.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.