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PUBCHEM-ZINC05828973

 MMsINC code: MMs03404290
Type: Neutral
Formula: C4H10N2S-2
SMILES:   S(CC[NH-])CC[NH-]
InChI:   InChI=1/C4H10N2S/c5-1-3-7-4-2-6/h5-6H,1-4H2/q-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.204 g/mol  logS: -0.01392  SlogP: 0.2854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481922  Sterimol/B1: 2.37553  Sterimol/B2: 2.37566  Sterimol/B3: 2.50259
  Sterimol/B4: 2.99242  Sterimol/L: 12.0855 
 
 Surface and Volume Properties
  Accessible surface: 319.711  Positive charged surface: 211.907  Negative charged surface: 107.805  Volume: 122.875
  Hydrophobic surface: 169.268  Hydrophilic surface: 150.443
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  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.