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KEYORGANICS-ZINC01388270

 MMsINC code: MMs02097735
Type: Neutral
Formula: C8H10FN3O3S
SMILES:   S(=O)(=O)(NCC(=O)NN)c1ccc(F)cc1
InChI:   InChI=1/C8H10FN3O3S/c9-6-1-3-7(4-2-6)16(14,15)11-5-8(13)12-10/h1-4,11H,5,10H2,(H,12,13)

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Potential Energy
Epot(MMFF94)=42.5628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.25 g/mol  logS: -1.77633  SlogP: -0.9061  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114295  Sterimol/B1: 2.34316  Sterimol/B2: 3.95864  Sterimol/B3: 4.84753
  Sterimol/B4: 5.30707  Sterimol/L: 13.1211 
 
 Surface and Volume Properties
  Accessible surface: 423.331  Positive charged surface: 217.024  Negative charged surface: 206.307  Volume: 194.625
  Hydrophobic surface: 202.525  Hydrophilic surface: 220.806
 
 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.