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ENAMINE-ZINC03389545

 MMsINC code: MMs01412851
Type: Neutral
Formula: C10H14FNO3S
SMILES:   S(=O)(=O)(NCCCOC)c1ccccc1F
InChI:   InChI=1/C10H14FNO3S/c1-15-8-4-7-12-16(13,14)10-6-3-2-5-9(10)11/h2-3,5-6,12H,4,7-8H2,1H3

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Potential Energy
Epot(MMFF94)=2.5837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.29 g/mol  logS: -1.86225  SlogP: 1.1405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567694  Sterimol/B1: 2.68262  Sterimol/B2: 3.45975  Sterimol/B3: 4.1223
  Sterimol/B4: 5.70852  Sterimol/L: 14.7031 
 
 Surface and Volume Properties
  Accessible surface: 447.312  Positive charged surface: 282.376  Negative charged surface: 164.936  Volume: 215.25
  Hydrophobic surface: 352.324  Hydrophilic surface: 94.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.