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APOLLO-ZINC02144104

 MMsINC code: MMs00050273
Type: Neutral
Formula: C14H16N2O4S4
SMILES:   S(=O)(=O)(NC)c1ccccc1SSc1ccccc1S(=O)(=O)NC
InChI:   InChI=1/C14H16N2O4S4/c1-15-23(17,18)13-9-5-3-7-11(13)21-22-12-8-4-6-10-14(12)24(19,20)16-2/h3-10,15-16H,1-2H3

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Potential Energy
Epot(MMFF94)=20.8974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.556 g/mol  logS: -5.0099  SlogP: 2.3022  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.143434  Sterimol/B1: 2.98884  Sterimol/B2: 3.14014  Sterimol/B3: 4.89188
  Sterimol/B4: 6.81306  Sterimol/L: 14.3188 
 
 Surface and Volume Properties
  Accessible surface: 551.904  Positive charged surface: 288.654  Negative charged surface: 263.249  Volume: 325.875
  Hydrophobic surface: 393.318  Hydrophilic surface: 158.586
 
 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: no related molecules available.