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PUBCHEM-ZINC02005767

 MMsINC code: MMs02846093
Type: Neutral
Formula: C4H8S2
SMILES:   S1CSCC1C
InChI:   InChI=1/C4H8S2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.2581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.24 g/mol  logS: -1.75585  SlogP: 1.8124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162168  Sterimol/B1: 2.57032  Sterimol/B2: 3.03009  Sterimol/B3: 3.06039
  Sterimol/B4: 4.01722  Sterimol/L: 8.59933 
 
 Surface and Volume Properties
  Accessible surface: 280.078  Positive charged surface: 170.316  Negative charged surface: 109.763  Volume: 113
  Hydrophobic surface: 157.05  Hydrophilic surface: 123.028
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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
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Ions/Tautomers related molecules: no related molecules available.