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ENAMINE-ZINC03341776

 MMsINC code: MMs01383536
Type: Neutral
Formula: C13H12ClFN2O4S2
SMILES:   Clc1cc(S(=O)(=O)NCc2ccc(S(=O)(=O)N)cc2)ccc1F
InChI:   InChI=1/C13H12ClFN2O4S2/c14-12-7-11(5-6-13(12)15)23(20,21)17-8-9-1-3-10(4-2-9)22(16,18)19/h1-7,17H,8H2,(H2,16,18,19)

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Potential Energy
Epot(MMFF94)=-1.43961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.832 g/mol  logS: -4.24664  SlogP: 1.8714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0842826  Sterimol/B1: 3.04165  Sterimol/B2: 3.4119  Sterimol/B3: 5.38591
  Sterimol/B4: 5.41587  Sterimol/L: 16.2017 
 
 Surface and Volume Properties
  Accessible surface: 563.705  Positive charged surface: 226.372  Negative charged surface: 337.333  Volume: 286.375
  Hydrophobic surface: 346.563  Hydrophilic surface: 217.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01383537
ENAMINE-ZINC03341776