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NCID-ZINC01868528

 MMsINC code: MMs02375627
Type: Neutral
Formula: C18H22O2S2
SMILES:   S(CCCCCCSc1ccc(O)cc1)c1ccc(O)cc1
InChI:   InChI=1/C18H22O2S2/c19-15-5-9-17(10-6-15)21-13-3-1-2-4-14-22-18-11-7-16(20)8-12-18/h5-12,19-20H,1-4,13-14H2

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Potential Energy
Epot(MMFF94)=51.2227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.504 g/mol  logS: -5.3052  SlogP: 5.5426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0071534  Sterimol/B1: 2.37434  Sterimol/B2: 2.3767  Sterimol/B3: 3.22648
  Sterimol/B4: 4.93997  Sterimol/L: 22.5956 
 
 Surface and Volume Properties
  Accessible surface: 634.848  Positive charged surface: 381.589  Negative charged surface: 253.259  Volume: 330.25
  Hydrophobic surface: 463.69  Hydrophilic surface: 171.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.