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ASINEX-ZINC00802683

 MMsINC code: MMs00170933
Type: Neutral
Formula: C12H16FNO3S
SMILES:   S(=O)(=O)(N1CCCCC1)c1cc(OC)c(F)cc1
InChI:   InChI=1/C12H16FNO3S/c1-17-12-9-10(5-6-11(12)13)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3

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Potential Energy
Epot(MMFF94)=32.9344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.328 g/mol  logS: -2.39795  SlogP: 2.0089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0912484  Sterimol/B1: 2.19176  Sterimol/B2: 3.15189  Sterimol/B3: 4.1484
  Sterimol/B4: 7.14371  Sterimol/L: 12.7429 
 
 Surface and Volume Properties
  Accessible surface: 465.933  Positive charged surface: 308.251  Negative charged surface: 157.683  Volume: 238.75
  Hydrophobic surface: 402.651  Hydrophilic surface: 63.282
 
 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.