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ACROSORGANICS-ZINC00156389

 MMsINC code: MMs00005409
Type: Neutral
Formula: C12H10FNO4S2
SMILES:   S(=O)(=O)(N(S(=O)(=O)c1ccccc1)F)c1ccccc1
InChI:   InChI=1/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H

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Potential Energy
Epot(MMFF94)=27.6136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.345 g/mol  logS: -3.88207  SlogP: 1.9507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744879  Sterimol/B1: 3.29217  Sterimol/B2: 3.62925  Sterimol/B3: 4.49285
  Sterimol/B4: 4.62191  Sterimol/L: 14.7587 
 
 Surface and Volume Properties
  Accessible surface: 473.298  Positive charged surface: 214.165  Negative charged surface: 259.132  Volume: 245.25
  Hydrophobic surface: 377.185  Hydrophilic surface: 96.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.