Molecular Properties | |
SMILES: | CC1COc2ccc(Cl)cc2C1Cc1nc(C(=O)CCl)n(C)c1NC(=O)c1cccnc1 |
MW: | 472.11 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 86.11 |
cLogP: | 4.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
keto_def_heterocycle
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-30
0.745
DAR-DIA-bd041b9b-10
0.676
DAR-DIA-bd041b9b-9
0.643
DAR-DIA-bd041b9b-22
0.642
DAR-DIA-bd041b9b-13
0.561
DAR-DIA-bd041b9b-1
0.558
DAR-DIA-bd041b9b-19
0.528
DAR-DIA-bd041b9b-31
0.504
DAR-DIA-bd041b9b-8
0.427
DAR-DIA-bd041b9b-29
0.412
DAR-DIA-bd041b9b-14
0.386
DAR-DIA-bd041b9b-12
0.385
DAR-DIA-bd041b9b-7
0.382
DAR-DIA-bd041b9b-34
0.353
DAR-DIA-bd041b9b-20
0.350
DAR-DIA-bd041b9b-26
0.340
MAT-POS-8a69d52e-4
0.317
MAT-POS-8a69d52e-6
0.317
MAT-POS-8a69d52e-5
0.317
EDJ-MED-e4b030d8-11
0.317
BRU-THA-01b12488-1
0.317
MAT-POS-8a69d52e-7
0.317
ADA-UCB-dc2b944c-14
0.317
ADA-UCB-dc2b944c-13
0.317
DAR-DIA-bd041b9b-18
0.315
MAT-POS-a54ce14d-1
0.304
RAL-THA-9041a04d-4
0.304
DAR-DIA-bd041b9b-3
0.298
STE-KUL-2e0d2e88-3
0.297
DAR-DIA-5ff57136-4
0.296
DAR-DIA-5ff57136-3
0.296
EDG-MED-fe7487f8-2
0.295
EDG-MED-4b32601a-1
0.295
ALF-EVA-a24cc7ce-1
0.293
EDG-MED-0e5afe9d-1
0.292
EDJ-MED-fb4b7746-4
0.292
PET-UNK-e274cad4-2
0.291
MAT-POS-a2421bb6-2
0.291
MAK-UNK-8be7dca9-3
0.289
DAR-DIA-5ff57136-1
0.288
DAR-DIA-5ff57136-2
0.288
JAG-UCB-a3ef7265-3
0.286
BEN-DND-a7517465-2
0.286
ADA-UCB-dc2b944c-15
0.286
BEN-DND-a7517465-3
0.286
BEN-DND-a7517465-5
0.286
PET-UNK-e274cad4-7
0.286
RAL-THA-3d7a794f-4
0.286
DAR-DIA-0d514e7d-3
0.286
ALF-EVA-ced740bd-2
0.285
BEN-DND-a7517465-6
0.285
EDJ-MED-e4b030d8-6
0.282
MAT-POS-ee5e8e94-1
0.282
JOH-UNI-21fd6073-3
0.282
NAU-LAT-b7d8c353-6
0.282
ALP-POS-b3e0acc5-2
0.282
MAT-POS-a2421bb6-4
0.282
BEN-DND-a7517465-1
0.281
JAN-GHE-299e5c7e-5
0.281
MAT-POS-b3e365b9-3
0.281
MAT-POS-b3e365b9-4
0.281
DAR-DIA-6a508060-6
0.281
BRU-CON-c4e3408a-1
0.281
JAG-UCB-c61058a9-3
0.281
JAN-GHE-f4ca5a00-13
0.281
PET-UNK-b1ef24dc-8
0.280
BEN-DND-4f474d93-3
0.280
MAT-POS-a2421bb6-1
0.280
PET-UNK-b1ef24dc-5
0.280
BEN-DND-4f474d93-1
0.280
ALP-POS-902f21bb-2
0.280
MAT-POS-afb6844f-3
0.280
EDJ-MED-51d3200d-3
0.280
ALP-POS-ce760d3f-2
0.280
EDJ-MED-12c115cc-1
0.279
EDJ-MED-12c115cc-2
0.279
MAT-POS-f7918075-2
0.279
MAT-POS-bbbbc21a-2
0.279
RAL-THA-3d7a794f-1
0.279
PET-UNK-3e029fdc-1
0.279
MAT-POS-afb6844f-1
0.279
MAT-POS-1ecf5680-1
0.278
ADA-UCB-dc2b944c-12
0.278
JOH-SUS-a69c159d-1
0.278
BEN-DND-4f474d93-2
0.278
ALP-POS-ce760d3f-3
0.278
RAL-THA-9041a04d-6
0.278
RAL-THA-04c5403f-1
0.278
JAG-UCB-c61058a9-14
0.277
MAR-TRE-2fd8122f-9
0.276
KEI-TRE-d5e2018a-6
0.276
MAR-TRE-7f7bb9f0-84
0.276
LON-WEI-0a73fcb8-7
0.276
MAK-UNK-919546f0-1
0.276
MAK-UNK-f481d203-1
0.276
MAK-UNK-f481d203-2
0.276
ERI-UCB-b3e6b0c2-15
0.276
ERI-UCB-b3e6b0c2-7
0.276
PET-UNK-b1ef24dc-6
0.276
ALP-UNI-0676e700-28
0.275