Molecular Properties | |
SMILES: | CC1COc2ccc(Cl)cc2C1Cn1c(C(=O)CCl)cnc1NC(=O)c1cccnc1 |
MW: | 458.09 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 86.11 |
cLogP: | 4.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-11
0.558
DAR-DIA-bd041b9b-13
0.513
DAR-DIA-bd041b9b-30
0.513
DAR-DIA-bd041b9b-22
0.458
DAR-DIA-bd041b9b-14
0.387
DAR-DIA-bd041b9b-31
0.387
DAR-DIA-bd041b9b-10
0.372
DAR-DIA-bd041b9b-9
0.360
DAR-DIA-bd041b9b-12
0.354
DAR-DIA-bd041b9b-7
0.353
DAR-DIA-bd041b9b-34
0.324
MAT-POS-8a69d52e-4
0.317
MAT-POS-8a69d52e-5
0.317
ADA-UCB-dc2b944c-14
0.317
ADA-UCB-dc2b944c-13
0.317
MAT-POS-8a69d52e-6
0.317
DAR-DIA-bd041b9b-19
0.317
MAT-POS-8a69d52e-7
0.317
BRU-THA-01b12488-1
0.317
EDJ-MED-e4b030d8-11
0.317
EDG-MED-fe7487f8-2
0.316
EDG-MED-4b32601a-1
0.316
JAG-UCB-c61058a9-5
0.315
ERI-UCB-b3e6b0c2-15
0.315
EDJ-MED-51d3200d-2
0.311
MAT-POS-a2421bb6-1
0.311
EDJ-MED-51d3200d-3
0.311
JAG-UCB-a3ef7265-3
0.307
RAL-THA-3d7a794f-2
0.305
ERI-UCB-b3e6b0c2-7
0.305
MAT-POS-a54ce14d-1
0.303
RAL-THA-9041a04d-4
0.303
ALF-EVA-a24cc7ce-1
0.303
ALP-POS-b3e0acc5-2
0.303
ALF-EVA-a24cc7ce-8
0.303
MAT-POS-b3e365b9-3
0.302
MAT-POS-b3e365b9-4
0.302
DAR-DIA-6a508060-6
0.302
BRU-CON-c4e3408a-1
0.302
JAN-GHE-f4ca5a00-13
0.302
MAT-POS-ee5e8e94-1
0.302
MAT-POS-a2421bb6-2
0.301
BEN-DND-c852c98b-9
0.299
BEN-DND-a7517465-9
0.299
JAG-UCB-c61058a9-14
0.298
BEN-DND-c852c98b-8
0.298
DAR-DIA-bd041b9b-29
0.298
BEN-DND-a7517465-10
0.298
LON-WEI-0a73fcb8-7
0.297
MAK-UNK-919546f0-1
0.297
MAK-UNK-f481d203-1
0.297
MAK-UNK-f481d203-2
0.297
MAR-TRE-7f7bb9f0-84
0.297
KEI-TRE-d5e2018a-6
0.297
MAR-TRE-2fd8122f-9
0.297
RAL-THA-3d7a794f-4
0.296
DAR-DIA-5ff57136-3
0.295
DAR-DIA-5ff57136-4
0.295
BEN-DND-a7517465-2
0.295
BEN-DND-a7517465-5
0.295
MAT-POS-500f4700-1
0.294
JAG-UCB-571deb56-3
0.294
MAT-POS-7ddaf7de-1
0.294
BEN-DND-a7517465-6
0.294
EDJ-MED-fb4b7746-2
0.293
MAT-POS-a2421bb6-4
0.292
TET-ENA-1a76f195-1
0.291
NAU-LAT-8502cac5-11
0.291
NAU-LAT-8502cac5-16
0.291
EDJ-MED-51d3200d-1
0.290
PET-UNK-e274cad4-2
0.290
MAT-POS-14f31916-1
0.290
MAT-POS-d8472c4f-6
0.290
BEN-DND-4f474d93-3
0.289
ALP-POS-ce760d3f-2
0.289
BEN-DND-4f474d93-1
0.289
PET-UNK-b1ef24dc-8
0.289
MAT-POS-afb6844f-3
0.289
MAT-POS-afb6844f-1
0.288
MAT-POS-bbbbc21a-2
0.288
MAT-POS-f7918075-2
0.288
MAT-POS-7ddaf7de-4
0.288
MAT-POS-8293a91a-1
0.288
EDJ-MED-12c115cc-2
0.288
EDJ-MED-12c115cc-1
0.288
TAT-ENA-0e28ea53-1
0.288
RAL-THA-3d7a794f-1
0.288
PET-UNK-3e029fdc-1
0.288
MAT-POS-8040981b-1
0.288
NAU-LAT-b7d8c353-2
0.288
NAU-LAT-b7d8c353-5
0.288
MIC-UNK-deda7a44-5
0.287
JAG-UCB-c61058a9-18
0.287
ALP-POS-64a6e87e-1
0.287
NAU-LAT-8502cac5-2
0.287
ALP-POS-6495d03e-4
0.287
ADA-UCB-dc2b944c-12
0.287
BEN-DND-4f474d93-2
0.287
JOH-SUS-a69c159d-1
0.287
RAL-THA-9041a04d-6
0.287