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PUBCHEM-ZINC05921760

 MMsINC code: MMs03444126
Type: Neutral
Formula: C5H10S
SMILES:   S(\C=C\C)CC
InChI:   InChI=1/C5H10S/c1-3-5-6-4-2/h3,5H,4H2,1-2H3/b5-3+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.16897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.201 g/mol  logS: -1.18956  SlogP: 2.2731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390915  Sterimol/B1: 2.37472  Sterimol/B2: 2.37577  Sterimol/B3: 2.80368
  Sterimol/B4: 2.96642  Sterimol/L: 11.1775 
 
 Surface and Volume Properties
  Accessible surface: 307.488  Positive charged surface: 193.682  Negative charged surface: 113.805  Volume: 116.125
  Hydrophobic surface: 231.863  Hydrophilic surface: 75.625
 
 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.