Submission Details

Molecule(s):
COc1c(Cl)cccc1NC(=O)C(=O)NCC(O)c1ccc(F)cc1

WIL-UNI-1faa9b10-1

COc1c(Cl)cccc1NC(=O)C(=O)NCC(O)c1ccc(F)cc1

CS(=O)(=O)Nc1cccc(NC(=O)C(=O)Nc2ccccc2F)c1

WIL-UNI-1faa9b10-2

CS(=O)(=O)Nc1cccc(NC(=O)C(=O)Nc2ccccc2F)c1

Nc1ncncc1CNC(=O)C(=O)Nc1ccc(F)c(F)c1

WIL-UNI-1faa9b10-3

Nc1ncncc1CNC(=O)C(=O)Nc1ccc(F)c(F)c1

O=C(Nc1cc(F)ccc1F)C(=O)NC(CO)c1ccccc1

WIL-UNI-1faa9b10-4

O=C(Nc1cc(F)ccc1F)C(=O)NC(CO)c1ccccc1

O=C(CNS(=O)(=O)c1ccc(F)cc1)NNc1ccc(F)cc1F

WIL-UNI-1faa9b10-5

O=C(CNS(=O)(=O)c1ccc(F)cc1)NNc1ccc(F)cc1F

O=C(CNS(=O)(=O)c1cccc(F)c1)NC(CO)c1cccc(F)c1

WIL-UNI-1faa9b10-6

O=C(CNS(=O)(=O)c1cccc(F)c1)NC(CO)c1cccc(F)c1

CS(=O)(=O)Nc1cccc(C(=O)NCC(O)c2cccc(F)c2)c1

WIL-UNI-1faa9b10-7

CS(=O)(=O)Nc1cccc(C(=O)NCC(O)c2cccc(F)c2)c1

O=C(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)Nc1cccnc1

WIL-UNI-1faa9b10-8

O=C(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)Nc1cccnc1

COc1ccc(F)cc1NC(=O)NC(CO)c1cccc(F)c1

WIL-UNI-1faa9b10-9

COc1ccc(F)cc1NC(=O)NC(CO)c1cccc(F)c1

NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NNc2ccc(Cl)c(F)c2)c1

WIL-UNI-1faa9b10-10

NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NNc2ccc(Cl)c(F)c2)c1

CS(=O)(=O)c1cccc(NC(=O)NC(CO)c2cccc(F)c2)c1

WIL-UNI-1faa9b10-11

CS(=O)(=O)c1cccc(NC(=O)NC(CO)c2cccc(F)c2)c1

O=C(NCc1nnc2c(=O)[nH]ccn12)Nc1cccc(F)c1

WIL-UNI-1faa9b10-12

O=C(NCc1nnc2c(=O)[nH]ccn12)Nc1cccc(F)c1

CC(O)(CNC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccccc1

WIL-UNI-1faa9b10-13

CC(O)(CNC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccccc1

Nc1cc(F)c(F)cc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F

WIL-UNI-1faa9b10-14

Nc1cc(F)c(F)cc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F

NS(=O)(=O)c1ccc(F)c(C(=O)NCC(O)c2cccc(F)c2)c1

WIL-UNI-1faa9b10-15

NS(=O)(=O)c1ccc(F)c(C(=O)NCC(O)c2cccc(F)c2)c1

NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(F)cc2)c1

WIL-UNI-1faa9b10-16

NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(F)cc2)c1

O=C(NCC(O)c1cccc(F)c1)C(=O)Nc1cc(Br)ccc1F

WIL-UNI-1faa9b10-17

O=C(NCC(O)c1cccc(F)c1)C(=O)Nc1cc(Br)ccc1F

NC(=O)c1ccc(S(=O)(=O)NCC(O)c2c(F)cccc2F)cc1

WIL-UNI-1faa9b10-18

NC(=O)c1ccc(S(=O)(=O)NCC(O)c2c(F)cccc2F)cc1

O=C(CCNS(=O)(=O)c1ccccc1F)NNc1ccc(F)cc1

WIL-UNI-1faa9b10-19

O=C(CCNS(=O)(=O)c1ccccc1F)NNc1ccc(F)cc1

Nc1c(NS(=O)(=O)c2ccc(F)cc2)cccc1S(N)(=O)=O

WIL-UNI-1faa9b10-20

Nc1c(NS(=O)(=O)c2ccc(F)cc2)cccc1S(N)(=O)=O

CS(=O)(=O)Nc1cc(C(=O)NNc2ccc(F)c(F)c2)ccc1Cl

WIL-UNI-1faa9b10-21

CS(=O)(=O)Nc1cc(C(=O)NNc2ccc(F)c(F)c2)ccc1Cl

CSc1ccccc1S(=O)(=O)NCc1cc(S(N)(=O)=O)ccc1F

WIL-UNI-1faa9b10-22

CSc1ccccc1S(=O)(=O)NCc1cc(S(N)(=O)=O)ccc1F

CC(=O)Nc1cccc(CNC(=O)C(=O)Nc2cccc(F)c2)c1

WIL-UNI-1faa9b10-23

CC(=O)Nc1cccc(CNC(=O)C(=O)Nc2cccc(F)c2)c1

CC(NC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1ccc(Cl)cc1

WIL-UNI-1faa9b10-24

CC(NC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1ccc(Cl)cc1

NS(=O)(=O)c1cc(C(=O)NCc2c(F)cccc2Cl)ccc1F

WIL-UNI-1faa9b10-25

NS(=O)(=O)c1cc(C(=O)NCc2c(F)cccc2Cl)ccc1F

COc1nscc1NC(=O)NC(CO)c1ccc(F)cc1F

WIL-UNI-1faa9b10-26

COc1nscc1NC(=O)NC(CO)c1ccc(F)cc1F

NS(=O)(=O)c1ccc(F)c(CNS(=O)(=O)c2ccccc2F)c1

WIL-UNI-1faa9b10-27

NS(=O)(=O)c1ccc(F)c(CNS(=O)(=O)c2ccccc2F)c1

NC(=O)c1cc(NC(=O)C(=O)NCc2ccccc2F)ccc1F

WIL-UNI-1faa9b10-28

NC(=O)c1cc(NC(=O)C(=O)NCc2ccccc2F)ccc1F

O=S(=O)(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(F)cc1F

WIL-UNI-1faa9b10-29

O=S(=O)(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(F)cc1F

NC(=O)c1cc(NC(=O)NC(CCO)c2ccccc2F)ccc1F

WIL-UNI-1faa9b10-30

NC(=O)c1cc(NC(=O)NC(CCO)c2ccccc2F)ccc1F

COC(=O)c1cc(NC(=O)NC(CO)c2cccc(F)c2)ccc1Cl

WIL-UNI-1faa9b10-31

COC(=O)c1cc(NC(=O)NC(CO)c2cccc(F)c2)ccc1Cl

COC(=O)N1CCN(C(=O)C(=O)NC2CCC(=O)N(C)C2)CC1

WIL-UNI-1faa9b10-32

COC(=O)N1CCN(C(=O)C(=O)NC2CCC(=O)N(C)C2)CC1

NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(F)c(F)c2)c1

WIL-UNI-1faa9b10-33

NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(F)c(F)c2)c1

COc1ccc(F)cc1NC(=O)NC(C(N)=O)c1ccc(F)cc1

WIL-UNI-1faa9b10-34

COc1ccc(F)cc1NC(=O)NC(C(N)=O)c1ccc(F)cc1

NS(=O)(=O)c1cccc(NC(=O)NC2CCc3ccc(F)cc32)c1

WIL-UNI-1faa9b10-35

NS(=O)(=O)c1cccc(NC(=O)NC2CCc3ccc(F)cc32)c1

NC(=O)c1cccc(NC(=O)NC2COc3ccc(F)cc3C2)c1

WIL-UNI-1faa9b10-36

NC(=O)c1cccc(NC(=O)NC2COc3ccc(F)cc3C2)c1

NC(=O)c1cc(CNC(=O)C(=O)Nc2cc(F)ccc2F)on1

WIL-UNI-1faa9b10-37

NC(=O)c1cc(CNC(=O)C(=O)Nc2cc(F)ccc2F)on1

NS(=O)(=O)c1cccc(CNCC(O)COc2ccc(F)cc2)c1

WIL-UNI-1faa9b10-38

NS(=O)(=O)c1cccc(CNCC(O)COc2ccc(F)cc2)c1

NC(=O)c1c[nH]c(C(=O)NC2CCN(C(=O)c3ccns3)C2)c1

WIL-UNI-1faa9b10-39

NC(=O)c1c[nH]c(C(=O)NC2CCN(C(=O)c3ccns3)C2)c1

COC(=O)NCC(=O)N1CCC(N(C)C(=O)CN(C)C(C)=O)C1

WIL-UNI-1faa9b10-40

COC(=O)NCC(=O)N1CCC(N(C)C(=O)CN(C)C(C)=O)C1

Cc1cc(C(=O)NCC2CCN2C(=O)c2cc(C(N)=O)ccn2)no1

WIL-UNI-1faa9b10-41

Cc1cc(C(=O)NCC2CCN2C(=O)c2cc(C(N)=O)ccn2)no1

NS(=O)(=O)c1cc(C(=O)NC(CO)c2ccc(F)cc2)ccc1F

WIL-UNI-1faa9b10-42

NS(=O)(=O)c1cc(C(=O)NC(CO)c2ccc(F)cc2)ccc1F

CN(CCNC(=O)c1cocn1)C(=O)c1c[nH]c(C(N)=O)c1

WIL-UNI-1faa9b10-43

CN(CCNC(=O)c1cocn1)C(=O)c1c[nH]c(C(N)=O)c1

COc1ccc(C(N)=O)cc1S(=O)(=O)NC(=O)c1cccc(F)c1

WIL-UNI-1faa9b10-44

COc1ccc(C(N)=O)cc1S(=O)(=O)NC(=O)c1cccc(F)c1

CN(C)C(CNS(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(F)c1

WIL-UNI-1faa9b10-45

CN(C)C(CNS(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(F)c1

NC(=O)c1cccc(NC(=O)NCC(O)c2c(F)cccc2F)c1

WIL-UNI-1faa9b10-46

NC(=O)c1cccc(NC(=O)NCC(O)c2c(F)cccc2F)c1

NC(=O)c1cccc(NC(=O)NCc2noc3ccc(F)cc23)c1

WIL-UNI-1faa9b10-47

NC(=O)c1cccc(NC(=O)NCc2noc3ccc(F)cc23)c1

CN(CCNC(=O)c1cocn1)C(=O)c1ccc2oc(=O)[nH]c2c1

WIL-UNI-1faa9b10-48

CN(CCNC(=O)c1cocn1)C(=O)c1ccc2oc(=O)[nH]c2c1

CC(NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)c1ccccc1Cl

WIL-UNI-1faa9b10-49

CC(NC(=O)NCc1cc(S(N)(=O)=O)ccc1F)c1ccccc1Cl

CN(CCNC(=O)c1cnco1)C(=O)c1c[nH]c(C(N)=O)c1

WIL-UNI-1faa9b10-50

CN(CCNC(=O)c1cnco1)C(=O)c1c[nH]c(C(N)=O)c1

NC(=O)c1ccc(F)c(NC(=O)C(=O)NCc2ccccc2)c1

WIL-UNI-1faa9b10-51

NC(=O)c1ccc(F)c(NC(=O)C(=O)NCc2ccccc2)c1

Cc1ccc(NC(=O)C(=O)NCC(O)c2cccc(F)c2)cc1F

WIL-UNI-1faa9b10-52

Cc1ccc(NC(=O)C(=O)NCC(O)c2cccc(F)c2)cc1F

O=S(=O)(NCC(O)c1ccc(F)cc1)c1c[nH]c2nccc(Cl)c12

WIL-UNI-1faa9b10-53

O=S(=O)(NCC(O)c1ccc(F)cc1)c1c[nH]c2nccc(Cl)c12

CN(CCNC(=O)c1ccon1)C(=O)c1ccc(C(N)=O)nc1

WIL-UNI-1faa9b10-54

CN(CCNC(=O)c1ccon1)C(=O)c1ccc(C(N)=O)nc1

NC(=O)c1cc(C(=O)NCC2CCCN2C(=O)c2ccncc2)c[nH]1

WIL-UNI-1faa9b10-55

NC(=O)c1cc(C(=O)NCC2CCCN2C(=O)c2ccncc2)c[nH]1

O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1

WIL-UNI-1faa9b10-56

O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1

O=C(O)c1cc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1F

WIL-UNI-1faa9b10-57

O=C(O)c1cc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1F


Design Rationale:

Fragment merge via ML.

Discussion: