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PUBCHEM-ZINC05410871

 MMsINC code: MMs03260336
Type: Ionized
Formula: C4H10NS2-
SMILES:   [S-]CC[NH2+]CC[S-]
InChI:   InChI=1/C4H11NS2/c6-3-1-5-2-4-7/h5-7H,1-4H2/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.18705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.263 g/mol  logS: -1.57761  SlogP: -1.3564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100835  Sterimol/B1: 2.35597  Sterimol/B2: 2.38197  Sterimol/B3: 2.38255
  Sterimol/B4: 3.10685  Sterimol/L: 12.6857 
 
 Surface and Volume Properties
  Accessible surface: 330.757  Positive charged surface: 161.626  Negative charged surface: 169.132  Volume: 133.625
  Hydrophobic surface: 147.134  Hydrophilic surface: 183.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs03260335
PUBCHEM-ZINC05410871