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PUBCHEM-ZINC05132858

 MMsINC code: MMs03207803
Type: Neutral
Formula: C5H10S
SMILES:   S(C\C=C\C)C
InChI:   InChI=1/C5H10S/c1-3-4-5-6-2/h3-4H,5H2,1-2H3/b4-3+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.85478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.201 g/mol  logS: -1.40905  SlogP: 1.9255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651052  Sterimol/B1: 2.80824  Sterimol/B2: 2.94318  Sterimol/B3: 3.03013
  Sterimol/B4: 3.15194  Sterimol/L: 10.81 
 
 Surface and Volume Properties
  Accessible surface: 304.308  Positive charged surface: 189.849  Negative charged surface: 114.459  Volume: 118.375
  Hydrophobic surface: 232.879  Hydrophilic surface: 71.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  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.