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CHEMBLOCK-ZINC04414424

 MMsINC code: MMs00550966
Type: Neutral
Formula: C25H32OS2
SMILES:   s1c(ccc1C)C(c1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)c1sc(cc1)C
InChI:   InChI=1/C25H32OS2/c1-15-9-11-20(27-15)22(21-12-10-16(2)28-21)17-13-18(24(3,4)5)23(26)19(14-17)25(6,7)8/h9-14,22,26H,1-8H3

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Potential Energy
Epot(MMFF94)=144.392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.662 g/mol  logS: -8.1207  SlogP: 7.90724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.491487  Sterimol/B1: 2.47994  Sterimol/B2: 3.94523  Sterimol/B3: 7.34157
  Sterimol/B4: 9.82217  Sterimol/L: 13.634 
 
 Surface and Volume Properties
  Accessible surface: 685.988  Positive charged surface: 428.817  Negative charged surface: 257.171  Volume: 420.375
  Hydrophobic surface: 576.978  Hydrophilic surface: 109.01
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.