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ENAMINE-ZINC06471312

 MMsINC code: MMs01663679
Type: Neutral
Formula: C15H16F3NO5S
SMILES:   S1(=O)(=O)CC(NC(=O)COC(=O)Cc2cc(ccc2)C(F)(F)F)CC1
InChI:   InChI=1/C15H16F3NO5S/c16-15(17,18)11-3-1-2-10(6-11)7-14(21)24-8-13(20)19-12-4-5-25(22,23)9-12/h1-3,6,12H,4-5,7-9H2,(H,19,20)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=66.2925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.355 g/mol  logS: -3.51898  SlogP: 1.40587  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.037852  Sterimol/B1: 2.43568  Sterimol/B2: 3.16654  Sterimol/B3: 3.92038
  Sterimol/B4: 6.16298  Sterimol/L: 18.6551 
 
 Surface and Volume Properties
  Accessible surface: 605.413  Positive charged surface: 298.973  Negative charged surface: 306.44  Volume: 301.25
  Hydrophobic surface: 344.832  Hydrophilic surface: 260.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.