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AURORAFEINCHEMIE-ZINC06744943

 MMsINC code: MMs00480955
Type: Neutral
Formula: C12H24O2S3
SMILES:   S(CCCC)C1CS(=O)(=O)CC1SCCCC
InChI:   InChI=1/C12H24O2S3/c1-3-5-7-15-11-9-17(13,14)10-12(11)16-8-6-4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=26.9565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.52 g/mol  logS: -3.92271  SlogP: 3.2186  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0372409  Sterimol/B1: 2.48325  Sterimol/B2: 3.19843  Sterimol/B3: 3.2806
  Sterimol/B4: 8.67852  Sterimol/L: 17.9456 
 
 Surface and Volume Properties
  Accessible surface: 568.599  Positive charged surface: 371.635  Negative charged surface: 196.964  Volume: 287.5
  Hydrophobic surface: 396.093  Hydrophilic surface: 172.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.