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ACROSORGANICS-ZINC01531083

 MMsINC code: MMs00008973
Type: Neutral
Formula: C6H10S
SMILES:   S(CC=C)CC=C
InChI:   InChI=1/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.3549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.212 g/mol  logS: -1.57488  SlogP: 2.0916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713739  Sterimol/B1: 2.57322  Sterimol/B2: 2.57488  Sterimol/B3: 2.85568
  Sterimol/B4: 3.21516  Sterimol/L: 12.0476 
 
 Surface and Volume Properties
  Accessible surface: 326.803  Positive charged surface: 189.817  Negative charged surface: 136.986  Volume: 131.5
  Hydrophobic surface: 176.912  Hydrophilic surface: 149.891
 
 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.