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ENAMINE-ZINC03322615

 MMsINC code: MMs01371053
Type: Neutral
Formula: C10H7F2NO2S2
SMILES:   s1cccc1S(=O)(=O)Nc1c(F)cccc1F
InChI:   InChI=1/C10H7F2NO2S2/c11-7-3-1-4-8(12)10(7)13-17(14,15)9-5-2-6-16-9/h1-6,13H

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Potential Energy
Epot(MMFF94)=47.1869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.299 g/mol  logS: -3.60169  SlogP: 2.8271  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196956  Sterimol/B1: 3.08113  Sterimol/B2: 3.55809  Sterimol/B3: 4.05626
  Sterimol/B4: 5.82923  Sterimol/L: 11.4152 
 
 Surface and Volume Properties
  Accessible surface: 410.872  Positive charged surface: 170.044  Negative charged surface: 240.828  Volume: 207.625
  Hydrophobic surface: 332.674  Hydrophilic surface: 78.198
 
 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.