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NCID-ZINC01620319

 MMsINC code: MMs02268546
Type: Ionized
Formula: C10H9FNO2S2-
SMILES:   S(C(C(=O)[O-])C)C(=S)Nc1cc(F)ccc1
InChI:   InChI=1/C10H10FNO2S2/c1-6(9(13)14)16-10(15)12-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,12,15)(H,13,14)/p-1/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=21.4067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.317 g/mol  logS: -4.74825  SlogP: 1.3941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0271816  Sterimol/B1: 2.24636  Sterimol/B2: 3.67825  Sterimol/B3: 4.26552
  Sterimol/B4: 5.2008  Sterimol/L: 13.2001 
 
 Surface and Volume Properties
  Accessible surface: 431.812  Positive charged surface: 176.981  Negative charged surface: 254.831  Volume: 214.875
  Hydrophobic surface: 254.956  Hydrophilic surface: 176.856
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs02268545
NCID-ZINC01620319