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PUBCHEM-ZINC06758540

 MMsINC code: MMs03853868
Type: Neutral
Formula: C18H25F3N2O3S
SMILES:   s1cccc1C(N(C(=O)C(F)(F)F)CCCOCC)C(=O)NC1CCCC1
InChI:   InChI=1/C18H25F3N2O3S/c1-2-26-11-6-10-23(17(25)18(19,20)21)15(14-9-5-12-27-14)16(24)22-13-7-3-4-8-13/h5,9,12-13,15H,2-4,6-8,10-11H2,1H3,(H,22,24)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=125.605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.469 g/mol  logS: -4.11479  SlogP: 4.1809  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128872  Sterimol/B1: 3.36495  Sterimol/B2: 3.9286  Sterimol/B3: 5.52815
  Sterimol/B4: 9.40473  Sterimol/L: 16.0112 
 
 Surface and Volume Properties
  Accessible surface: 661.234  Positive charged surface: 403.116  Negative charged surface: 258.118  Volume: 358.375
  Hydrophobic surface: 515.305  Hydrophilic surface: 145.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.