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NCID-ZINC01860824

 MMsINC code: MMs02373636
Type: Neutral
Formula: C11H14FNO2S3
SMILES:   S(SC(=S)N(CC)CC)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C11H14FNO2S3/c1-3-13(4-2)11(16)17-18(14,15)10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=79.2314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.434 g/mol  logS: -5.17321  SlogP: 2.8743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126798  Sterimol/B1: 2.43993  Sterimol/B2: 3.21451  Sterimol/B3: 4.59543
  Sterimol/B4: 7.63448  Sterimol/L: 12.8085 
 
 Surface and Volume Properties
  Accessible surface: 479.064  Positive charged surface: 240.7  Negative charged surface: 238.364  Volume: 257.625
  Hydrophobic surface: 328.012  Hydrophilic surface: 151.052
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.