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PUBCHEM-ZINC06485363

MMsINC code: MMs03761506

Type: Neutral
Formula: C3H8NS-
SMILES:   S(CC[NH-])C
InChI:   InChI=1/C3H8NS/c1-5-3-2-4/h4H,2-3H2,1H3/q-1

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=13.1749 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 90.17 g/mol  logS: -0.29817  SlogP: 0.6323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0769067  Sterimol/B1: 2.37487  Sterimol/B2: 2.37564  Sterimol/B3: 2.83
  Sterimol/B4: 3.13112  Sterimol/L: 9.79662 
 
 Surface and Volume Properties
  Accessible surface: 267.06  Positive charged surface: 164.502  Negative charged surface: 102.558  Volume: 97.5
  Hydrophobic surface: 169.48  Hydrophilic surface: 97.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 1  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

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Ions/Tautomers related molecules: no related molecules available.