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NANOSIN-ZINC01504889

 MMsINC code: MMs02194710
Type: Neutral
Formula: C20H26FNO3S
SMILES:   S(=O)(=O)(Nc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)c1ccc(F)cc1
InChI:   InChI=1/C20H26FNO3S/c1-19(2,3)16-11-14(12-17(18(16)23)20(4,5)6)22-26(24,25)15-9-7-13(21)8-10-15/h7-12,22-23H,1-6H3

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Potential Energy
Epot(MMFF94)=95.7239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.496 g/mol  logS: -6.39201  SlogP: 4.9271  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219064  Sterimol/B1: 2.49715  Sterimol/B2: 4.25735  Sterimol/B3: 4.51435
  Sterimol/B4: 8.86413  Sterimol/L: 14.3651 
 
 Surface and Volume Properties
  Accessible surface: 576.12  Positive charged surface: 329.406  Negative charged surface: 246.714  Volume: 357.875
  Hydrophobic surface: 386.615  Hydrophilic surface: 189.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.