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NCID-ZINC04706593

MMsINC code: MMs02395154

Type: Tautomer
Formula: C3H10NS+
SMILES:   SCCC[NH3+]
InChI:   InChI=1/C3H9NS/c4-2-1-3-5/h5H,1-4H2/p+1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=2.10774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 92.186 g/mol  logS: -0.44774  SlogP: -0.4518  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.1032  Sterimol/B1: 2.37904  Sterimol/B2: 2.37969  Sterimol/B3: 2.6753
  Sterimol/B4: 3.11844  Sterimol/L: 9.54938 
 
 Surface and Volume Properties
  Accessible surface: 276.565  Positive charged surface: 215.139  Negative charged surface: 61.4257  Volume: 99.375
  Hydrophobic surface: 138.839  Hydrophilic surface: 137.726
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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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MMs02395153
NCID-ZINC04706593