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ENAMINE-ZINC01220945

 MMsINC code: MMs01239202
Type: Neutral
Formula: C16H10F3NO2S2
SMILES:   S1\C(=C\c2oc(cc2)-c2cc(ccc2)C(F)(F)F)\C(=O)N(C)C1=S
InChI:   InChI=1/C16H10F3NO2S2/c1-20-14(21)13(24-15(20)23)8-11-5-6-12(22-11)9-3-2-4-10(7-9)16(17,18)19/h2-8H,1H3/b13-8-

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Potential Energy
Epot(MMFF94)=56.3576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.387 g/mol  logS: -7.44125  SlogP: 5.1079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00832079  Sterimol/B1: 2.63639  Sterimol/B2: 2.6399  Sterimol/B3: 4.51634
  Sterimol/B4: 6.99558  Sterimol/L: 15.4428 
 
 Surface and Volume Properties
  Accessible surface: 560.007  Positive charged surface: 226.694  Negative charged surface: 333.312  Volume: 298.375
  Hydrophobic surface: 317.288  Hydrophilic surface: 242.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.