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NCID-ZINC01725374

 MMsINC code: MMs02349216
Type: Neutral
Formula: C14H20O4S2
SMILES:   S(C1CCCCC1OS(=O)(=O)C)c1ccc(OC)cc1
InChI:   InChI=1/C14H20O4S2/c1-17-11-7-9-12(10-8-11)19-14-6-4-3-5-13(14)18-20(2,15)16/h7-10,13-14H,3-6H2,1-2H3/t13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=66.6403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.442 g/mol  logS: -3.77831  SlogP: 3.0747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0858633  Sterimol/B1: 3.83241  Sterimol/B2: 4.26781  Sterimol/B3: 4.37576
  Sterimol/B4: 4.91502  Sterimol/L: 16.508 
 
 Surface and Volume Properties
  Accessible surface: 523.068  Positive charged surface: 329.174  Negative charged surface: 193.893  Volume: 285.375
  Hydrophobic surface: 422.441  Hydrophilic surface: 100.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.