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normal O=S=O and NH2 beads

  • Shadman Lakmehsari
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2 years 8 months 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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2 years 7 months 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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2 years 7 months 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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2 years 5 months ago - 2 years 5 months ago #9210 by riccardo
Replied by riccardo on topic O=S=O and NH2 beads
You say Martini 3 but auto_martini only does Martini 2, as far as I know. Isn't it?
Last edit: 2 years 5 months ago by riccardo.

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