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ENAMINE-ZINC03333750

 MMsINC code: MMs01378418
Type: Neutral
Formula: C15H20FNO3S
SMILES:   S(CC(=O)NC(C(CC)C)C(OC)=O)c1ccccc1F
InChI:   InChI=1/C15H20FNO3S/c1-4-10(2)14(15(19)20-3)17-13(18)9-21-12-8-6-5-7-11(12)16/h5-8,10,14H,4,9H2,1-3H3,(H,17,18)/t10-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=71.9778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.393 g/mol  logS: -4.52797  SlogP: 2.6217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0678834  Sterimol/B1: 2.40977  Sterimol/B2: 2.8714  Sterimol/B3: 4.06676
  Sterimol/B4: 8.86432  Sterimol/L: 15.5061 
 
 Surface and Volume Properties
  Accessible surface: 570.551  Positive charged surface: 348.988  Negative charged surface: 221.563  Volume: 293
  Hydrophobic surface: 441.547  Hydrophilic surface: 129.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.