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ENAMINE-ZINC00134278

 MMsINC code: MMs01225014
Type: Neutral
Formula: C13H12N2O4S2
SMILES:   S(=O)(=O)(N)c1cc2Cc3cc(S(=O)(=O)N)ccc3-c2cc1
InChI:   InChI=1/C13H12N2O4S2/c14-20(16,17)10-1-3-12-8(6-10)5-9-7-11(21(15,18)19)2-4-13(9)12/h1-4,6-7H,5H2,(H2,14,16,17)(H2,15,18,19)

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Potential Energy
Epot(MMFF94)=14.1158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.381 g/mol  logS: -4.73536  SlogP: 0.55257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0376766  Sterimol/B1: 2.66315  Sterimol/B2: 2.77635  Sterimol/B3: 3.32821
  Sterimol/B4: 5.11182  Sterimol/L: 15.7812 
 
 Surface and Volume Properties
  Accessible surface: 502.334  Positive charged surface: 244.489  Negative charged surface: 246.043  Volume: 257.125
  Hydrophobic surface: 240.915  Hydrophilic surface: 261.419
 
 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


MMs01225015
ENAMINE-ZINC00134278