Molecular Properties | |
SMILES: | CC1COc2ccc(Cl)cc2C1Cc1nc(C(=O)CCl)n(C)c1N(C)C(=O)c1cccnc1 |
MW: | 486.12 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 77.32 |
cLogP: | 4.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
keto_def_heterocycle
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-11
0.642
DAR-DIA-bd041b9b-30
0.539
DAR-DIA-bd041b9b-20
0.519
DAR-DIA-bd041b9b-13
0.513
DAR-DIA-bd041b9b-10
0.500
DAR-DIA-bd041b9b-9
0.469
DAR-DIA-bd041b9b-1
0.458
DAR-DIA-bd041b9b-12
0.377
DAR-DIA-bd041b9b-31
0.357
DAR-DIA-bd041b9b-7
0.355
DAR-DIA-bd041b9b-14
0.346
DAR-DIA-bd041b9b-19
0.331
DAR-DIA-bd041b9b-34
0.326
DAR-DIA-bd041b9b-21
0.325
MAT-POS-8a69d52e-7
0.320
MAT-POS-8a69d52e-4
0.320
EDJ-MED-e4b030d8-11
0.320
ADA-UCB-dc2b944c-14
0.320
MAT-POS-8a69d52e-5
0.320
BRU-THA-01b12488-1
0.320
ADA-UCB-dc2b944c-13
0.320
MAT-POS-8a69d52e-6
0.320
DAR-DIA-5ff57136-2
0.310
DAR-DIA-5ff57136-1
0.310
DAR-DIA-bd041b9b-8
0.310
DAR-DIA-5ff57136-4
0.309
DAR-DIA-5ff57136-3
0.309
DAR-DIA-bd041b9b-17
0.301
DAR-DIA-bd041b9b-4
0.298
ALF-EVA-a24cc7ce-2
0.295
MAK-UNK-8be7dca9-3
0.291
JOH-UNI-21fd6073-4
0.285
EDG-MED-0e5afe9d-1
0.285
JOH-UNI-21fd6073-3
0.285
EDJ-MED-fb4b7746-4
0.285
EDJ-MED-e4b030d8-6
0.285
PET-UNK-e274cad4-2
0.283
DAR-DIA-6a508060-1
0.280
KEI-TRE-d5e2018a-6
0.279
MAR-TRE-7f7bb9f0-84
0.279
MAR-TRE-2fd8122f-9
0.279
PET-UNK-e274cad4-7
0.278
WIL-UCB-7ba4ac3a-2
0.278
DAR-DIA-0d514e7d-3
0.278
ADA-UCB-dc2b944c-15
0.278
MAK-UNK-3875bbc8-2
0.278
RAL-THA-3d7a794f-4
0.277
EDG-MED-4b32601a-1
0.276
EDG-MED-fe7487f8-2
0.276
MAT-POS-a54ce14d-1
0.276
RAL-THA-9041a04d-4
0.276
NIR-THE-af15c15d-1
0.275
MAT-POS-ee5e8e94-1
0.275
MAT-POS-a2421bb6-2
0.273
BEN-DND-a7517465-1
0.273
BEN-BAS-5c03e89e-1
0.273
ALF-EVA-a24cc7ce-4
0.272
ALF-EVA-5b152d2f-6
0.271
EDJ-MED-12c115cc-2
0.270
MAT-POS-afb6844f-1
0.270
MAT-POS-bbbbc21a-2
0.270
MAT-POS-f7918075-2
0.270
EDJ-MED-12c115cc-1
0.270
ALP-POS-6495d03e-4
0.270
DAR-DIA-bd041b9b-29
0.270
NIR-THE-2069301b-1
0.269
DAR-DIA-5ff57136-16
0.269
MAK-UNK-919546f0-1
0.268
MAK-UNK-f481d203-1
0.268
MAK-UNK-f481d203-2
0.268
PET-UNK-b1ef24dc-6
0.268
ALF-EVA-ced740bd-2
0.267
RYA-UNI-c3f66fb2-1
0.267
VLA-UCB-05e51b3f-9
0.267
VLA-UCB-50c39ae8-6
0.267
JAG-UCB-a3ef7265-3
0.267
ALF-EVA-5b152d2f-4
0.266
ALP-POS-b3e0acc5-2
0.264
ALF-EVA-a24cc7ce-1
0.264
VLA-UCB-05e51b3f-4
0.264
VLA-UCB-50c39ae8-1
0.264
DAR-DIA-5ff57136-14
0.263
MAT-POS-b3e365b9-4
0.262
DAR-DIA-6a508060-6
0.262
BRU-CON-c4e3408a-1
0.262
JAG-UCB-c61058a9-3
0.262
JAN-GHE-f4ca5a00-13
0.262
MAT-POS-b3e365b9-3
0.262
MIC-UNK-8686cf1d-1
0.262
MAT-POS-b3e365b9-1
0.262
PET-UNK-b1ef24dc-8
0.262
VLA-UCB-1dbca3b4-15
0.262
EDJ-MED-51d3200d-3
0.262
DAR-DIA-5a24bef0-13
0.262
MAT-POS-a2421bb6-1
0.262
BEN-DND-4f474d93-3
0.262
ALP-POS-ce760d3f-2
0.262
MAT-POS-f7918075-1
0.262
MAT-POS-afb6844f-3
0.262
MAT-POS-b3e365b9-2
0.262