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ENAMINE-ZINC03307957

 MMsINC code: MMs01362227
Type: Neutral
Formula: C13H18FNO2S
SMILES:   S(=O)(=O)(NC1CCCCCC1)c1ccccc1F
InChI:   InChI=1/C13H18FNO2S/c14-12-9-5-6-10-13(12)18(16,17)15-11-7-3-1-2-4-8-11/h5-6,9-11,15H,1-4,7-8H2

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Potential Energy
Epot(MMFF94)=14.5036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.356 g/mol  logS: -3.5042  SlogP: 2.8268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.267074  Sterimol/B1: 2.34725  Sterimol/B2: 3.60272  Sterimol/B3: 4.01732
  Sterimol/B4: 6.46647  Sterimol/L: 11.4329 
 
 Surface and Volume Properties
  Accessible surface: 455.81  Positive charged surface: 270.651  Negative charged surface: 185.159  Volume: 244.75
  Hydrophobic surface: 383.803  Hydrophilic surface: 72.007
 
 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.