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ENAMINE-ZINC03249524

 MMsINC code: MMs01329814
Type: Neutral
Formula: C10H10F3NO2S
SMILES:   S(=O)(=O)(NCC=C)c1ccccc1C(F)(F)F
InChI:   InChI=1/C10H10F3NO2S/c1-2-7-14-17(15,16)9-6-4-3-5-8(9)10(11,12)13/h2-6,14H,1,7H2

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Potential Energy
Epot(MMFF94)=14.3242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.255 g/mol  logS: -2.77564  SlogP: 2.4812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.261265  Sterimol/B1: 2.26548  Sterimol/B2: 3.86431  Sterimol/B3: 4.77891
  Sterimol/B4: 5.93655  Sterimol/L: 11.8406 
 
 Surface and Volume Properties
  Accessible surface: 418.786  Positive charged surface: 181.511  Negative charged surface: 237.275  Volume: 208
  Hydrophobic surface: 222.827  Hydrophilic surface: 195.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.