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ENAMINE-ZINC03473344

 MMsINC code: MMs01462252
Type: Neutral
Formula: C16H16FNO3S2
SMILES:   s1c(C)c(C)c(C(OC)=O)c1NC(=O)CSc1ccccc1F
InChI:   InChI=1/C16H16FNO3S2/c1-9-10(2)23-15(14(9)16(20)21-3)18-13(19)8-22-12-7-5-4-6-11(12)17/h4-7H,8H2,1-3H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=89.3195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.438 g/mol  logS: -5.51829  SlogP: 4.02144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133095  Sterimol/B1: 3.00748  Sterimol/B2: 3.13561  Sterimol/B3: 5.35276
  Sterimol/B4: 5.94105  Sterimol/L: 17.263 
 
 Surface and Volume Properties
  Accessible surface: 596.502  Positive charged surface: 331.094  Negative charged surface: 265.407  Volume: 312.25
  Hydrophobic surface: 494.81  Hydrophilic surface: 101.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.