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APOLLO-ZINC03127615

 MMsINC code: MMs00055898
Type: Neutral
Formula: C10H20F3NO3S
SMILES:   S(OC(CCN(CC)CC)C(F)(F)F)(=O)(=O)CC
InChI:   InChI=1/C10H20F3NO3S/c1-4-14(5-2)8-7-9(10(11,12)13)17-18(15,16)6-3/h9H,4-8H2,1-3H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=39.5524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.334 g/mol  logS: -2.12055  SlogP: 2.4354  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.12085  Sterimol/B1: 2.48724  Sterimol/B2: 2.49446  Sterimol/B3: 5.61416
  Sterimol/B4: 7.10208  Sterimol/L: 13.741 
 
 Surface and Volume Properties
  Accessible surface: 490.527  Positive charged surface: 277.384  Negative charged surface: 213.144  Volume: 245.75
  Hydrophobic surface: 277.135  Hydrophilic surface: 213.392
 
 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


MMs00055899
APOLLO-ZINC03127615