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CHEMDIV-ZINC05025733

 MMsINC code: MMs00979650
Type: Neutral
Formula: C16H10FN3O2S2
SMILES:   s1c2cc(ccc2nc1Nc1sc2c(n1)c(F)ccc2)C(OC)=O
InChI:   InChI=1/C16H10FN3O2S2/c1-22-14(21)8-5-6-10-12(7-8)24-15(18-10)20-16-19-13-9(17)3-2-4-11(13)23-16/h2-7H,1H3,(H,18,19,20)

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Potential Energy
Epot(MMFF94)=57.7517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.405 g/mol  logS: -6.25561  SlogP: 4.5753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00185358  Sterimol/B1: 2.37477  Sterimol/B2: 2.37534  Sterimol/B3: 3.23995
  Sterimol/B4: 6.16886  Sterimol/L: 19.1665 
 
 Surface and Volume Properties
  Accessible surface: 568.81  Positive charged surface: 308.597  Negative charged surface: 260.214  Volume: 298.5
  Hydrophobic surface: 446.899  Hydrophilic surface: 121.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.