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CHEMBLOCK-ZINC02601303

 MMsINC code: MMs00533143
Type: Neutral
Formula: C14H14F3NO5S
SMILES:   S(=O)(=O)(N1CCC(=O)CC1(C(OC)=O)C(F)(F)F)c1ccccc1
InChI:   InChI=1/C14H14F3NO5S/c1-23-12(20)13(14(15,16)17)9-10(19)7-8-18(13)24(21,22)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=105.667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.328 g/mol  logS: -3.03363  SlogP: 1.9342  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.170577  Sterimol/B1: 3.97344  Sterimol/B2: 4.31208  Sterimol/B3: 4.72584
  Sterimol/B4: 4.82345  Sterimol/L: 13.7777 
 
 Surface and Volume Properties
  Accessible surface: 487.122  Positive charged surface: 260.36  Negative charged surface: 226.762  Volume: 277.625
  Hydrophobic surface: 329.37  Hydrophilic surface: 157.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.