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ENAMINE-ZINC03473422

 MMsINC code: MMs01462278
Type: Neutral
Formula: C10H11FN2O2S
SMILES:   S(CC(=O)NC(=O)NC)c1ccccc1F
InChI:   InChI=1/C10H11FN2O2S/c1-12-10(15)13-9(14)6-16-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3,(H2,12,13,14,15)

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Potential Energy
Epot(MMFF94)=27.996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.274 g/mol  logS: -3.10236  SlogP: 1.3734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0068428  Sterimol/B1: 2.37504  Sterimol/B2: 2.37563  Sterimol/B3: 3.95599
  Sterimol/B4: 4.22368  Sterimol/L: 15.9569 
 
 Surface and Volume Properties
  Accessible surface: 447.652  Positive charged surface: 273.652  Negative charged surface: 174.001  Volume: 212.25
  Hydrophobic surface: 305.324  Hydrophilic surface: 142.328
 
 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.