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PUBCHEM-ZINC06402229

 MMsINC code: MMs03707572
Type: Neutral
Formula: C15H19FN2O2S
SMILES:   S(CC(=O)NC(=O)NC1CCCCC1)c1ccccc1F
InChI:   InChI=1/C15H19FN2O2S/c16-12-8-4-5-9-13(12)21-10-14(19)18-15(20)17-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H2,17,18,19,20)

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Potential Energy
Epot(MMFF94)=33.85 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: 0.0236169  Sterimol/B1: 2.97639  Sterimol/B2: 3.22404  Sterimol/B3: 3.46014
  Sterimol/B4: 4.73899  Sterimol/L: 19.0671 
 
 Surface and Volume Properties
  Accessible surface: 560.892  Positive charged surface: 351.068  Negative charged surface: 209.824  Volume: 287.125
  Hydrophobic surface: 434.398  Hydrophilic surface: 126.494
 
 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.