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ENAMINE-ZINC03324452

 MMsINC code: MMs01372184
Type: Neutral
Formula: C15H12Cl2FNO4S
SMILES:   Clc1c(S(=O)(=O)NC(CC(O)=O)c2ccc(F)cc2)cccc1Cl
InChI:   InChI=1/C15H12Cl2FNO4S/c16-11-2-1-3-13(15(11)17)24(22,23)19-12(8-14(20)21)9-4-6-10(18)7-5-9/h1-7,12,19H,8H2,(H,20,21)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=15.2818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.234 g/mol  logS: -4.63208  SlogP: 3.7223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164877  Sterimol/B1: 2.36705  Sterimol/B2: 2.76952  Sterimol/B3: 5.52718
  Sterimol/B4: 7.77749  Sterimol/L: 15.0613 
 
 Surface and Volume Properties
  Accessible surface: 530.771  Positive charged surface: 222.633  Negative charged surface: 308.138  Volume: 306.75
  Hydrophobic surface: 406.492  Hydrophilic surface: 124.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01372185
ENAMINE-ZINC03324452