Molecular Properties | |
SMILES: | Cc1c(C(=O)CCl)cc(CC2c3cc(Cl)ccc3OCC2C)n1NC(=O)c1ccc(=O)[nH]n1 |
MW: | 488.1 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 106.08 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-15
0.679
DAR-DIA-bd041b9b-7
0.679
DAR-DIA-bd041b9b-13
0.664
DAR-DIA-bd041b9b-10
0.560
DAR-DIA-bd041b9b-34
0.504
DAR-DIA-bd041b9b-6
0.465
DAR-DIA-bd041b9b-14
0.443
DAR-DIA-bd041b9b-9
0.421
DAR-DIA-bd041b9b-11
0.385
DAR-DIA-bd041b9b-22
0.377
DAR-DIA-bd041b9b-30
0.369
DAR-DIA-bd041b9b-1
0.354
DAR-DIA-bd041b9b-16
0.344
DAR-DIA-bd041b9b-33
0.338
DAR-DIA-bd041b9b-2
0.320
EDG-MED-fe7487f8-2
0.306
EDG-MED-4b32601a-1
0.306
DAR-DIA-bd041b9b-8
0.290
ALP-POS-64a6e87e-1
0.288
MAT-POS-8a69d52e-5
0.286
ADA-UCB-dc2b944c-14
0.286
EDJ-MED-e4b030d8-11
0.286
ADA-UCB-dc2b944c-13
0.286
BRU-THA-01b12488-1
0.286
MAT-POS-8a69d52e-6
0.286
MAT-POS-8a69d52e-7
0.286
DAR-DIA-bd041b9b-28
0.286
MAT-POS-8a69d52e-4
0.286
IND-SYN-6c8299e8-6
0.284
DAR-DIA-bd041b9b-18
0.283
MAT-POS-fa06b69f-9
0.281
TAT-ENA-80bfd3e5-37
0.281
DAR-DIA-5ff57136-1
0.278
DAR-DIA-5ff57136-2
0.278
JAG-UCB-c61058a9-14
0.277
DAR-DIA-5ff57136-3
0.276
DAR-DIA-5ff57136-4
0.276
JAN-GHE-299e5c7e-4
0.271
JAG-UCB-c61058a9-1
0.270
JAG-UCB-47403a7c-1
0.270
DAR-DIA-bd041b9b-5
0.269
JAG-UCB-52b62a6f-14
0.267
DAR-DIA-bd041b9b-25
0.265
JAG-UCB-c61058a9-23
0.262
DAR-DIA-bd041b9b-21
0.262
MAK-UNK-919546f0-7
0.261
JAG-UCB-c61058a9-5
0.261
JAG-UCB-c61058a9-3
0.260
MAT-POS-afb6844f-3
0.260
MAK-UNK-919546f0-6
0.257
JAG-UCB-c61058a9-18
0.256
NAU-LAT-8502cac5-2
0.256
MIC-UNK-deda7a44-5
0.256
NAU-LAT-8502cac5-12
0.256
NAU-LAT-28398581-2
0.256
ALF-EVA-a24cc7ce-6
0.256
JAG-UCB-52b62a6f-19
0.256
BEN-DND-b89db3f2-2
0.254
NAU-LAT-b7d8c353-4
0.254
RAL-THA-b74298ba-2
0.254
EDJ-MED-fb4b7746-3
0.254
ALP-POS-bea7b391-1
0.254
EDG-MED-0e5afe9d-2
0.254
EDG-MED-fe7487f8-15
0.252
ALP-POS-8b8a49e1-4
0.252
MAT-POS-a2421bb6-4
0.252
ALP-POS-b3e0acc5-2
0.252
PET-UNK-e274cad4-2
0.252
JAG-UCB-52b62a6f-18
0.252
JAN-GHE-299e5c7e-5
0.252
ALP-POS-bea7b391-2
0.252
BRU-CON-c4e3408a-1
0.250
DAR-DIA-6a508060-6
0.250
JAN-GHE-f4ca5a00-13
0.250
JAG-UCB-c61058a9-29
0.250
MAT-POS-51833a24-4
0.250
MAT-POS-b3e365b9-3
0.250
MAK-UNK-919546f0-3
0.250
MAK-UNK-f481d203-5
0.250
MAT-POS-b3e365b9-4
0.250
MAK-UNK-f481d203-6
0.250
JAG-UCB-52b62a6f-11
0.250
DAR-DIA-bd041b9b-31
0.248
ROB-UNI-569bc02e-4
0.248
EDJ-MED-ba7e64f2-2
0.248
JAG-UCB-52b62a6f-17
0.248
ADA-UCB-dc2b944c-12
0.248
NAU-LAT-8502cac5-13
0.248
JOH-SUS-a69c159d-1
0.248
JOH-UNI-f51e3bbc-1
0.248
MAT-POS-7ddaf7de-4
0.248
MAT-POS-afb6844f-1
0.248
PET-UNK-b1ef24dc-6
0.246
MIC-UNK-b904ca85-2
0.246
JAG-UCB-52b62a6f-4
0.246
LON-WEI-0a73fcb8-4
0.246
EDG-MED-fe7487f8-8
0.246
VLA-UNK-0ffe3317-2
0.246
JAG-UCB-c61058a9-44
0.246
LON-WEI-0a73fcb8-6
0.246