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ENAMINE-ZINC03324480

 MMsINC code: MMs01372213
Type: Neutral
Formula: C14H20FNO2S
SMILES:   S(=O)(=O)(NC1CCCCCCC1)c1ccccc1F
InChI:   InChI=1/C14H20FNO2S/c15-13-10-6-7-11-14(13)19(17,18)16-12-8-4-2-1-3-5-9-12/h6-7,10-12,16H,1-5,8-9H2

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Potential Energy
Epot(MMFF94)=61.0593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.383 g/mol  logS: -4.01942  SlogP: 3.2169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211417  Sterimol/B1: 3.11077  Sterimol/B2: 3.80853  Sterimol/B3: 4.04217
  Sterimol/B4: 6.43847  Sterimol/L: 12.1461 
 
 Surface and Volume Properties
  Accessible surface: 460.878  Positive charged surface: 272.104  Negative charged surface: 188.773  Volume: 262.25
  Hydrophobic surface: 385.144  Hydrophilic surface: 75.734
 
 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.