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PUBCHEM-ZINC06890942

 MMsINC code: MMs03891684
Type: Neutral
Formula: C12H15ClF3NO3S
SMILES:   Clc1ccc(cc1S(=O)(=O)N(CCC)CCO)C(F)(F)F
InChI:   InChI=1/C12H15ClF3NO3S/c1-2-5-17(6-7-18)21(19,20)11-8-9(12(14,15)16)3-4-10(11)13/h3-4,8,18H,2,5-7H2,1H3

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Potential Energy
Epot(MMFF94)=72.3904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.769 g/mol  logS: -3.41572  SlogP: 3.0633  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126483  Sterimol/B1: 2.18144  Sterimol/B2: 2.76362  Sterimol/B3: 4.83697
  Sterimol/B4: 8.13388  Sterimol/L: 12.2006 
 
 Surface and Volume Properties
  Accessible surface: 488.542  Positive charged surface: 243.732  Negative charged surface: 244.81  Volume: 266.75
  Hydrophobic surface: 278.313  Hydrophilic surface: 210.229
 
 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.