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ENAMINE-ZINC02649664

 MMsINC code: MMs01274514
Type: Neutral
Formula: C15H11ClF3NO4S
SMILES:   Clc1c(F)c(S(=O)(=O)Nc2ccccc2C(OCC)=O)c(F)cc1F
InChI:   InChI=1/C15H11ClF3NO4S/c1-2-24-15(21)8-5-3-4-6-11(8)20-25(22,23)14-10(18)7-9(17)12(16)13(14)19/h3-7,20H,2H2,1H3

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Potential Energy
Epot(MMFF94)=38.2967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.769 g/mol  logS: -5.37489  SlogP: 3.7348  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221009  Sterimol/B1: 4.10247  Sterimol/B2: 4.19384  Sterimol/B3: 5.64831
  Sterimol/B4: 6.71049  Sterimol/L: 13.7297 
 
 Surface and Volume Properties
  Accessible surface: 555.586  Positive charged surface: 257.413  Negative charged surface: 298.173  Volume: 295.875
  Hydrophobic surface: 437.39  Hydrophilic surface: 118.196
 
 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.