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NCID-ZINC01625014

 MMsINC code: MMs02271881
Type: Neutral
Formula: C7H10FN3O4S2
SMILES:   S(=O)(=O)(NNS(=O)(=O)NC)c1ccc(F)cc1
InChI:   InChI=1/C7H10FN3O4S2/c1-9-17(14,15)11-10-16(12,13)7-4-2-6(8)3-5-7/h2-5,9-11H,1H3

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Potential Energy
Epot(MMFF94)=22.9375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.304 g/mol  logS: -1.70079  SlogP: -0.9272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169799  Sterimol/B1: 2.39531  Sterimol/B2: 2.65187  Sterimol/B3: 4.68504
  Sterimol/B4: 5.83324  Sterimol/L: 12.6066 
 
 Surface and Volume Properties
  Accessible surface: 442.642  Positive charged surface: 222.148  Negative charged surface: 220.494  Volume: 207.875
  Hydrophobic surface: 260.742  Hydrophilic surface: 181.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.