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APOLLO-ZINC02144102

 MMsINC code: MMs00050271
Type: Neutral
Formula: C12H12N2O4S4
SMILES:   S(=O)(=O)(N)c1ccccc1SSc1ccccc1S(=O)(=O)N
InChI:   InChI=1/C12H12N2O4S4/c13-21(15,16)11-7-3-1-5-9(11)19-20-10-6-2-4-8-12(10)22(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)

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Potential Energy
Epot(MMFF94)=12.6803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.502 g/mol  logS: -5.78716  SlogP: 1.7808  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.209628  Sterimol/B1: 2.29094  Sterimol/B2: 2.55606  Sterimol/B3: 5.82757
  Sterimol/B4: 6.44419  Sterimol/L: 14.0264 
 
 Surface and Volume Properties
  Accessible surface: 530.466  Positive charged surface: 231.346  Negative charged surface: 299.12  Volume: 285
  Hydrophobic surface: 293.056  Hydrophilic surface: 237.41
 
 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


MMs00050272
APOLLO-ZINC02144102