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APOLLO-ZINC00095888

 MMsINC code: MMs00042670
Type: Neutral
Formula: C12H11NO4S2
SMILES:   s1cc(S(=O)(=O)c2ccccc2)c(N)c1C(OC)=O
InChI:   InChI=1/C12H11NO4S2/c1-17-12(14)11-10(13)9(7-18-11)19(15,16)8-5-3-2-4-6-8/h2-7H,13H2,1H3

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Potential Energy
Epot(MMFF94)=64.5274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.355 g/mol  logS: -3.25871  SlogP: 1.9497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117739  Sterimol/B1: 3.13137  Sterimol/B2: 3.50678  Sterimol/B3: 4.97768
  Sterimol/B4: 5.9042  Sterimol/L: 13.7698 
 
 Surface and Volume Properties
  Accessible surface: 470.756  Positive charged surface: 240.808  Negative charged surface: 229.948  Volume: 244.25
  Hydrophobic surface: 353.986  Hydrophilic surface: 116.77
 
 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.