Molecular Properties | |
SMILES: | CC1COc2ccc(Cl)cc2C1Cc1nc(C(=O)CCl)n(C)c1NC(=O)c1n[nH]c(=O)c2ccccc12 |
MW: | 539.11 |
Fraction sp3: | 0.27 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 118.97 |
cLogP: | 4.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
keto_def_heterocycle
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-10
0.712
DAR-DIA-bd041b9b-8
0.690
DAR-DIA-bd041b9b-11
0.643
DAR-DIA-bd041b9b-7
0.615
DAR-DIA-bd041b9b-34
0.563
DAR-DIA-bd041b9b-3
0.557
DAR-DIA-bd041b9b-30
0.484
DAR-DIA-bd041b9b-22
0.469
DAR-DIA-bd041b9b-27
0.447
DAR-DIA-bd041b9b-6
0.444
DAR-DIA-bd041b9b-12
0.421
DAR-DIA-bd041b9b-13
0.406
DAR-DIA-bd041b9b-33
0.403
DAR-DIA-bd041b9b-4
0.395
DAR-DIA-bd041b9b-24
0.391
DAR-DIA-bd041b9b-1
0.360
DAR-DIA-bd041b9b-2
0.359
TAT-ENA-80bfd3e5-37
0.355
MAT-POS-fa06b69f-9
0.355
DAR-DIA-bd041b9b-18
0.354
DAR-DIA-bd041b9b-5
0.326
DAR-DIA-bd041b9b-32
0.326
MAT-POS-8a69d52e-7
0.326
EDJ-MED-e4b030d8-11
0.326
ADA-UCB-dc2b944c-14
0.326
ADA-UCB-dc2b944c-13
0.326
MAT-POS-8a69d52e-4
0.326
MAT-POS-8a69d52e-6
0.326
BRU-THA-01b12488-1
0.326
MAT-POS-8a69d52e-5
0.326
UNK-UNK-2ede4078-28
0.325
UNK-UNK-2ede4078-1
0.317
UNK-UNK-2ede4078-63
0.314
JAG-UCB-52b62a6f-6
0.312
DAR-DIA-bd041b9b-31
0.312
DAR-DIA-5ff57136-1
0.307
DAR-DIA-5ff57136-2
0.307
DAR-DIA-bd041b9b-19
0.305
EDJ-MED-e4b030d8-6
0.301
DAR-DIA-bd041b9b-23
0.301
JOH-SUS-a69c159d-1
0.298
JOH-UNI-f51e3bbc-1
0.298
EDJ-MED-ba7e64f2-2
0.298
JAG-UCB-52b62a6f-17
0.298
ADA-UCB-dc2b944c-12
0.298
UNK-UNK-2ede4078-88
0.297
UNK-UNK-2ede4078-92
0.296
ADA-UCB-dc2b944c-15
0.295
DAR-DIA-0d514e7d-3
0.295
DAR-DIA-bd041b9b-15
0.290
MAT-POS-f7918075-2
0.289
MAT-POS-bbbbc21a-2
0.289
EDJ-MED-12c115cc-1
0.289
EDJ-MED-12c115cc-2
0.289
MAK-UNK-8be7dca9-3
0.289
EDG-MED-fe7487f8-2
0.285
EDG-MED-4b32601a-1
0.285
ALP-UNI-0676e700-28
0.284
ALF-EVA-5b152d2f-1
0.284
EDJ-MED-fb4b7746-4
0.283
EDG-MED-0e5afe9d-1
0.283
NIR-THE-af15c15d-1
0.283
JOH-UNI-21fd6073-3
0.283
VLA-UNK-0ffe3317-1
0.282
EDJ-MED-ba7e64f2-3
0.281
JAG-UCB-52b62a6f-12
0.281
BEN-BAS-5c03e89e-1
0.281
JAG-UCB-c61058a9-3
0.281
ALP-UNI-0676e700-23
0.281
MAT-POS-b3e365b9-2
0.280
MAT-POS-b3e365b9-1
0.280
VLA-UCB-1dbca3b4-15
0.280
MAT-POS-f7918075-1
0.280
KAD-UNI-b13decd3-2
0.280
ALF-EVA-5b152d2f-6
0.279
VLA-UCB-1dbca3b4-16
0.278
NIR-THE-2069301b-1
0.277
NAU-LAT-b7d8c353-3
0.276
FRA-DIA-e29753f2-1
0.276
BEN-DND-b89db3f2-1
0.276
VLA-UCB-05e51b3f-18
0.276
JAG-UCB-c61058a9-45
0.276
VLA-UCB-50c39ae8-11
0.276
DAR-DIA-bd041b9b-14
0.276
EDJ-MED-eb111c00-3
0.275
DAR-DIA-0d514e7d-35
0.275
DAR-DIA-0d514e7d-34
0.275
KAD-UNI-cb0f2bbc-4
0.274
ALF-EVA-a24cc7ce-2
0.273
JAN-GHE-299e5c7e-4
0.272
JAN-GHE-299e5c7e-5
0.272
ADA-UCB-dc2b944c-10
0.272
JOH-UNI-ea72002d-2
0.271
DAR-DIA-0d514e7d-36
0.271
EDJ-MED-15e90dfc-6
0.270
KAD-UNI-cb0f2bbc-20
0.269
KAD-UNI-b13decd3-1
0.269
MAT-POS-5f1400cf-1
0.269
JAG-UCB-52b62a6f-9
0.269
ROB-UNI-569bc02e-4
0.268