normal O=S=O and NH2 beads

  • Shadman Lakmehsari
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2 months 1 week ago #9100 by Shadman Lakmehsari
O=S=O and NH2 beads was created by Shadman Lakmehsari
I would like to simulate an anticancer drug which has a part of SMILES = NS(=O)(=O)c1ccccc1. Here there is a O=S=O connected to a NH2 and a phenyl group. According to above mentioned, Let me know if you know what is the beads of O=S=O and NH2?
Best,
Muhammad

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1 month 4 days ago #9133 by riccardo
Replied by riccardo on topic O=S=O and NH2 beads
Martini 2 or Martini 3 (recommended ;))?

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1 month 4 days ago #9136 by Shadman Lakmehsari
Replied by Shadman Lakmehsari on topic O=S=O and NH2 beads
Martini 3,
I found a solution with auto_martini, however I was busy and could not check it yet!

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