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PUBCHEM-ZINC05605303

 MMsINC code: MMs03322522
Type: Neutral
Formula: C18H15FN2O3S
SMILES:   S1\C(=C\c2cc(OCc3ccc(F)cc3)c(OC)cc2)\C(=O)N=C1N
InChI:   InChI=1/C18H15FN2O3S/c1-23-14-7-4-12(9-16-17(22)21-18(20)25-16)8-15(14)24-10-11-2-5-13(19)6-3-11/h2-9H,10H2,1H3,(H2,20,21,22)/b16-9+

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Potential Energy
Epot(MMFF94)=90.5553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.393 g/mol  logS: -5.45506  SlogP: 3.6087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0556138  Sterimol/B1: 2.19003  Sterimol/B2: 3.70182  Sterimol/B3: 3.80575
  Sterimol/B4: 8.74076  Sterimol/L: 18.8459 
 
 Surface and Volume Properties
  Accessible surface: 610.784  Positive charged surface: 356.606  Negative charged surface: 254.177  Volume: 317.125
  Hydrophobic surface: 420.144  Hydrophilic surface: 190.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.