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ASINEX-ZINC04866404

 MMsINC code: MMs00389908
Type: Neutral
Formula: C14H22O5S2
SMILES:   S(OCCS(=O)(=O)CC)(=O)(=O)c1ccc(cc1)CCCC
InChI:   InChI=1/C14H22O5S2/c1-3-5-6-13-7-9-14(10-8-13)21(17,18)19-11-12-20(15,16)4-2/h7-10H,3-6,11-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=29.1694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.457 g/mol  logS: -4.23809  SlogP: 2.16917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454477  Sterimol/B1: 3.19878  Sterimol/B2: 3.69993  Sterimol/B3: 4.03566
  Sterimol/B4: 6.8118  Sterimol/L: 18.8284 
 
 Surface and Volume Properties
  Accessible surface: 593.286  Positive charged surface: 339.46  Negative charged surface: 253.827  Volume: 301.875
  Hydrophobic surface: 414.513  Hydrophilic surface: 178.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.