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PUBCHEM-ZINC00693055

 MMsINC code: MMs02729452
Type: Neutral
Formula: C25H26F2N2O4S2
SMILES:   s1cccc1CN(Cc1ccc(F)cc1)C(=O)CN(S(=O)(=O)c1ccc(F)cc1)CC1OCCC1
InChI:   InChI=1/C25H26F2N2O4S2/c26-20-7-5-19(6-8-20)15-28(17-23-4-2-14-34-23)25(30)18-29(16-22-3-1-13-33-22)35(31,32)24-11-9-21(27)10-12-24/h2,4-12,14,22H,1,3,13,15-18H2/t22-/m1/s1

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Potential Energy
Epot(MMFF94)=89.7254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 520.621 g/mol  logS: -5.99247  SlogP: 4.9578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.573732  Sterimol/B1: 2.097  Sterimol/B2: 3.95192  Sterimol/B3: 9.404
  Sterimol/B4: 9.58092  Sterimol/L: 13.5708 
 
 Surface and Volume Properties
  Accessible surface: 744.599  Positive charged surface: 406.948  Negative charged surface: 337.651  Volume: 460
  Hydrophobic surface: 677.402  Hydrophilic surface: 67.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.