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IBS-ZINC00531863

 MMsINC code: MMs01748050
Type: Neutral
Formula: C10H7BrFNO2S2
SMILES:   Brc1sc(S(=O)(=O)Nc2cc(F)ccc2)cc1
InChI:   InChI=1/C10H7BrFNO2S2/c11-9-4-5-10(16-9)17(14,15)13-8-3-1-2-7(12)6-8/h1-6,13H

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Potential Energy
Epot(MMFF94)=32.1229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.205 g/mol  logS: -4.70836  SlogP: 3.4505  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278105  Sterimol/B1: 2.73884  Sterimol/B2: 3.47541  Sterimol/B3: 5.09773
  Sterimol/B4: 6.01353  Sterimol/L: 12.1496 
 
 Surface and Volume Properties
  Accessible surface: 457.101  Positive charged surface: 142.686  Negative charged surface: 314.415  Volume: 230.625
  Hydrophobic surface: 374.004  Hydrophilic surface: 83.097
 
 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.