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IBS-ZINC02405018

 MMsINC code: MMs01853210
Type: Neutral
Formula: C18H15FN2O3S
SMILES:   S(=O)(=O)(N\N=C\c1oc(cc1)-c1ccccc1F)c1ccc(cc1)C
InChI:   InChI=1/C18H15FN2O3S/c1-13-6-9-15(10-7-13)25(22,23)21-20-12-14-8-11-18(24-14)16-4-2-3-5-17(16)19/h2-12,21H,1H3/b20-12+

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Potential Energy
Epot(MMFF94)=95.8022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.393 g/mol  logS: -6.42829  SlogP: 3.70652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710434  Sterimol/B1: 2.06463  Sterimol/B2: 2.49573  Sterimol/B3: 5.52986
  Sterimol/B4: 8.58426  Sterimol/L: 15.4715 
 
 Surface and Volume Properties
  Accessible surface: 612.431  Positive charged surface: 322.06  Negative charged surface: 290.372  Volume: 314.75
  Hydrophobic surface: 497.691  Hydrophilic surface: 114.74
 
 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.