Submission Details
Molecule(s):
O=C(COc1ccccc1F)Nc1ncnc2[nH]cnc12
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2c(c1)C(=O)NC2=O
O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1ccc2c(c1)C(=O)NC2=O
O=C(CC1NC(=O)c2ccccc21)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
O=C(CC1NC(=O)c2ccccc21)Nc1cccc(-c2cn3c(n2)CCCC3)c1
O=C1C(Nc2ncnc3[nH]cnc23)CCN1Cc1ccccc1
Cn1c(-c2ccc(NC(=O)C3CCCCC(=O)N3)cc2)nc2ccccc21
O=C(Nc1cccc2ncccc12)c1c[nH]c2ncncc12
c1ccc(COc2ccc(-c3noc(-c4ncnc5[nH]ccc45)n3)cc2)cc1
O=C(CC1NC(=O)c2ccccc21)NCc1ccc(C#CC2CC2)cc1
O=C1NC(CC(=O)N2CC3(CC(OCc4ccccc4)C3)C2)c2ccccc21
Cc1[nH]c2ncnc(NC(=O)c3cc4ccccc4c(=O)o3)c2c1C
O=C1CCCCC(C(=O)Nc2ccc(-c3nc[nH]n3)cc2F)N1
O=C1CCCN1Cc1cccc(-c2noc(-c3ccnc4[nH]ccc34)n2)c1
O=C(Nc1c[nH]nc1-c1ccccn1)c1cccc2nccn12
Cc1[nH]c2ncnc(NC(=O)C3CCN(c4ccc(Cl)cn4)CC3)c2c1C
O=C(CC1NC(=O)c2ccccc21)NC1CCc2nc(C3CCCCC3)[nH]c2C1
Cc1[nH]c2ncnc(NC(=O)c3cccc4c3oc(=O)n4C)c2c1C
Design Rationale:
Designs of the UCB comp-chem team using the Fragment MD approach developed at UCB
Other Notes:
submitted by Matt, PostEra