Molecular Properties | |
SMILES: | Cc1c(C(=O)CCl)cc(CC2c3cc(Cl)ccc3OCC2C)n1NC(=O)c1n[nH]c(=O)c2ccccc12 |
MW: | 538.12 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 106.08 |
cLogP: | 4.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-34
0.766
DAR-DIA-bd041b9b-6
0.702
DAR-DIA-bd041b9b-12
0.679
DAR-DIA-bd041b9b-13
0.646
DAR-DIA-bd041b9b-9
0.615
DAR-DIA-bd041b9b-2
0.553
DAR-DIA-bd041b9b-33
0.540
MAT-POS-fa06b69f-9
0.509
TAT-ENA-80bfd3e5-37
0.509
DAR-DIA-bd041b9b-15
0.465
DAR-DIA-bd041b9b-8
0.444
DAR-DIA-bd041b9b-14
0.438
DAR-DIA-bd041b9b-32
0.435
DAR-DIA-bd041b9b-10
0.432
DAR-DIA-bd041b9b-5
0.402
DAR-DIA-bd041b9b-23
0.395
DAR-DIA-bd041b9b-11
0.382
DAR-DIA-bd041b9b-30
0.368
DAR-DIA-bd041b9b-22
0.355
DAR-DIA-bd041b9b-1
0.353
DAR-DIA-bd041b9b-27
0.341
DAR-DIA-bd041b9b-3
0.338
UNK-UNK-2ede4078-28
0.328
DAR-DIA-bd041b9b-24
0.325
MAT-POS-8a69d52e-7
0.318
EDJ-MED-e4b030d8-11
0.318
MAT-POS-8a69d52e-4
0.318
MAT-POS-8a69d52e-5
0.318
ADA-UCB-dc2b944c-14
0.318
MAT-POS-8a69d52e-6
0.318
ADA-UCB-dc2b944c-13
0.318
BRU-THA-01b12488-1
0.318
UNK-UNK-2ede4078-63
0.316
JAG-UCB-52b62a6f-6
0.315
UNK-UNK-2ede4078-1
0.309
EDJ-MED-ba7e64f2-2
0.300
JAG-UCB-52b62a6f-17
0.300
JOH-UNI-f51e3bbc-1
0.300
DAR-DIA-5ff57136-1
0.299
DAR-DIA-5ff57136-2
0.299
DAR-DIA-bd041b9b-4
0.297
EDJ-MED-e4b030d8-6
0.294
ADA-UCB-dc2b944c-12
0.290
JOH-SUS-a69c159d-1
0.290
UNK-UNK-2ede4078-88
0.289
UNK-UNK-2ede4078-92
0.288
ALF-EVA-a24cc7ce-6
0.288
EDG-MED-fe7487f8-2
0.287
EDG-MED-4b32601a-1
0.287
NIR-THE-af15c15d-1
0.285
JAG-UCB-c61058a9-45
0.278
VLA-UCB-50c39ae8-11
0.278
NAU-LAT-b7d8c353-3
0.278
FRA-DIA-e29753f2-1
0.278
BEN-DND-b89db3f2-1
0.278
VLA-UCB-05e51b3f-18
0.278
NAU-LAT-28398581-2
0.278
JAN-GHE-f4ca5a00-2
0.276
ALP-POS-bea7b391-1
0.276
ALP-POS-8b8a49e1-4
0.276
JOH-UNI-21fd6073-3
0.275
VLA-UNK-0ffe3317-1
0.275
JAN-GHE-299e5c7e-4
0.274
JAG-UCB-52b62a6f-12
0.274
BEN-BAS-5c03e89e-1
0.274
ALF-EVA-5b152d2f-6
0.272
MAK-UNK-8be7dca9-3
0.272
EDJ-MED-12c115cc-1
0.271
MAT-POS-bbbbc21a-2
0.271
EDJ-MED-12c115cc-2
0.271
MAT-POS-f7918075-2
0.271
JAG-UCB-52b62a6f-9
0.271
MAK-UNK-83e0a0b4-3
0.270
NIR-THE-2069301b-1
0.270
JAG-UCB-c61058a9-14
0.270
JAG-UCB-52b62a6f-4
0.269
ADA-UCB-dc2b944c-15
0.269
DAR-DIA-0d514e7d-3
0.269
VLA-UCB-05e51b3f-9
0.268
MAK-UNK-8be7dca9-6
0.268
VLA-UCB-50c39ae8-6
0.268
JAG-UCB-52b62a6f-19
0.268
NAU-LAT-b7d8c353-8
0.268
DAR-DIA-0d514e7d-34
0.267
DAR-DIA-0d514e7d-35
0.267
RAL-THA-b00e3cbf-1
0.267
VLA-UCB-50c39ae8-4
0.267
VLA-UCB-05e51b3f-7
0.267
NAU-LAT-28398581-1
0.265
ALF-EVA-a24cc7ce-2
0.265
IND-SYN-6c8299e8-6
0.265
EDJ-MED-ba7e64f2-3
0.265
JAG-UCB-52b62a6f-8
0.265
JAG-UCB-c61058a9-1
0.264
JAG-UCB-c61058a9-3
0.264
JAG-UCB-47403a7c-1
0.264
MAT-POS-afb6844f-3
0.263
VLA-UCB-1dbca3b4-15
0.263
MAT-POS-b3e365b9-1
0.263
MAT-POS-b3e365b9-2
0.263