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ENAMINE-ZINC00470490

 MMsINC code: MMs01231109
Type: Neutral
Formula: C9H11FN2O3S
SMILES:   S(=O)(=O)(N(CC(=O)N)C)c1ccc(F)cc1
InChI:   InChI=1/C9H11FN2O3S/c1-12(6-9(11)13)16(14,15)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H2,11,13)

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Potential Energy
Epot(MMFF94)=30.0015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.262 g/mol  logS: -1.87198  SlogP: -0.0685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0936155  Sterimol/B1: 2.26396  Sterimol/B2: 2.4277  Sterimol/B3: 4.45145
  Sterimol/B4: 6.24311  Sterimol/L: 12.9959 
 
 Surface and Volume Properties
  Accessible surface: 419.987  Positive charged surface: 236.245  Negative charged surface: 183.742  Volume: 201.875
  Hydrophobic surface: 263.93  Hydrophilic surface: 156.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.