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ENAMINE-ZINC03532946

 MMsINC code: MMs01494690
Type: Neutral
Formula: C15H19FN2O2S
SMILES:   S(CC(=O)NC(=O)NC1CCCCC1)c1ccc(F)cc1
InChI:   InChI=1/C15H19FN2O2S/c16-11-6-8-13(9-7-11)21-10-14(19)18-15(20)17-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,17,18,19,20)

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Potential Energy
Epot(MMFF94)=28.87 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.393 g/mol  logS: -4.5735  SlogP: 3.0763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234573  Sterimol/B1: 3.04238  Sterimol/B2: 3.13312  Sterimol/B3: 3.39287
  Sterimol/B4: 4.54855  Sterimol/L: 19.3222 
 
 Surface and Volume Properties
  Accessible surface: 554.925  Positive charged surface: 343.146  Negative charged surface: 211.779  Volume: 285.75
  Hydrophobic surface: 428.865  Hydrophilic surface: 126.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.