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NCID-ZINC01662999

 MMsINC code: MMs02299589
Type: Neutral
Formula: C21H20FNO3S
SMILES:   S(=O)(=O)(N(CC(O)c1ccccc1)c1ccccc1F)c1ccc(cc1)C
InChI:   InChI=1/C21H20FNO3S/c1-16-11-13-18(14-12-16)27(25,26)23(20-10-6-5-9-19(20)22)15-21(24)17-7-3-2-4-8-17/h2-14,21,24H,15H2,1H3/t21-/m1/s1

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Potential Energy
Epot(MMFF94)=95.684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.459 g/mol  logS: -5.45656  SlogP: 4.15852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111036  Sterimol/B1: 2.61441  Sterimol/B2: 3.01033  Sterimol/B3: 5.29742
  Sterimol/B4: 9.64713  Sterimol/L: 15.4911 
 
 Surface and Volume Properties
  Accessible surface: 608.783  Positive charged surface: 320.842  Negative charged surface: 287.942  Volume: 354.5
  Hydrophobic surface: 540.533  Hydrophilic surface: 68.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.