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MAYBRIDGE-ZINC00144494

 MMsINC code: MMs02140285
Type: Neutral
Formula: C18H22FNO2S
SMILES:   S(=O)(=O)(NCc1c(C)c(C)c(C)c(C)c1C)c1ccc(F)cc1
InChI:   InChI=1/C18H22FNO2S/c1-11-12(2)14(4)18(15(5)13(11)3)10-20-23(21,22)17-8-6-16(19)7-9-17/h6-9,20H,10H2,1-5H3

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Potential Energy
Epot(MMFF94)=64.5995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.443 g/mol  logS: -5.65534  SlogP: 4.1127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775949  Sterimol/B1: 4.02678  Sterimol/B2: 4.10593  Sterimol/B3: 4.39438
  Sterimol/B4: 5.60366  Sterimol/L: 15.2537 
 
 Surface and Volume Properties
  Accessible surface: 556.828  Positive charged surface: 293.819  Negative charged surface: 263.01  Volume: 319.25
  Hydrophobic surface: 481.583  Hydrophilic surface: 75.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.