Molecular Properties | |
SMILES: | Cc1c(C(=O)CCl)cc(CC2c3cc(Cl)ccc3OCC2C)n1NC(=O)c1cccnc1 |
MW: | 471.11 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 73.22 |
cLogP: | 5.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-14
0.673
DAR-DIA-bd041b9b-12
0.664
DAR-DIA-bd041b9b-7
0.646
DAR-DIA-bd041b9b-11
0.561
DAR-DIA-bd041b9b-30
0.530
DAR-DIA-bd041b9b-1
0.513
DAR-DIA-bd041b9b-22
0.513
DAR-DIA-bd041b9b-34
0.488
DAR-DIA-bd041b9b-15
0.443
DAR-DIA-bd041b9b-6
0.438
DAR-DIA-bd041b9b-9
0.406
DAR-DIA-bd041b9b-10
0.398
DAR-DIA-bd041b9b-31
0.370
DAR-DIA-bd041b9b-17
0.347
DAR-DIA-bd041b9b-33
0.324
MAT-POS-8a69d52e-7
0.311
DAR-DIA-5ff57136-3
0.311
EDJ-MED-e4b030d8-11
0.311
ADA-UCB-dc2b944c-14
0.311
ADA-UCB-dc2b944c-13
0.311
DAR-DIA-5ff57136-4
0.311
MAT-POS-8a69d52e-4
0.311
MAT-POS-8a69d52e-6
0.311
BRU-THA-01b12488-1
0.311
MAT-POS-8a69d52e-5
0.311
STE-KUL-2e0d2e88-3
0.303
DAR-DIA-6a508060-6
0.297
BRU-CON-c4e3408a-1
0.297
MAT-POS-b3e365b9-3
0.297
MAT-POS-b3e365b9-4
0.297
JAN-GHE-f4ca5a00-13
0.297
MAT-POS-afb6844f-3
0.295
DAR-DIA-bd041b9b-2
0.295
ALF-EVA-a24cc7ce-6
0.290
DAR-DIA-bd041b9b-19
0.290
IND-SYN-6c8299e8-6
0.290
EDG-MED-4b32601a-1
0.289
EDG-MED-fe7487f8-2
0.289
DAR-DIA-5ff57136-1
0.282
DAR-DIA-5ff57136-2
0.282
DAR-DIA-bd041b9b-29
0.282
ALP-POS-64a6e87e-1
0.282
JAG-UCB-c61058a9-14
0.282
JAG-UCB-a3ef7265-3
0.280
MAT-POS-a54ce14d-1
0.278
RAL-THA-9041a04d-4
0.278
MAT-POS-ee5e8e94-1
0.277
EDJ-MED-e4b030d8-6
0.277
ALP-POS-b3e0acc5-2
0.276
ALF-EVA-a24cc7ce-1
0.276
DAR-DIA-bd041b9b-8
0.276
MAT-POS-a2421bb6-2
0.276
EDJ-MED-51d3200d-3
0.274
MAT-POS-a2421bb6-1
0.274
MAK-UNK-ec98eaf6-20
0.274
MAK-UNK-8be7dca9-3
0.273
MAT-POS-afb6844f-1
0.273
MAT-POS-7ddaf7de-4
0.273
JOH-SUS-a69c159d-1
0.272
ADA-UCB-dc2b944c-12
0.272
DAR-DIA-5ff57136-16
0.271
MAK-UNK-919546f0-1
0.270
LON-WEI-0a73fcb8-7
0.270
MAK-UNK-f481d203-1
0.270
MAK-UNK-f481d203-2
0.270
PET-UNK-b1ef24dc-6
0.270
MIC-UNK-b904ca85-2
0.270
MAK-UNK-8be7dca9-6
0.269
NAU-LAT-b7d8c353-8
0.269
RAL-THA-3d7a794f-4
0.269
RAL-THA-3d7a794f-3
0.268
MAT-POS-afb6844f-2
0.268
NAU-LAT-b7d8c353-6
0.267
ALF-EVA-5b152d2f-8
0.267
NIR-THE-af15c15d-1
0.267
JOH-UNI-21fd6073-3
0.267
JAG-UCB-c61058a9-23
0.267
MAT-POS-a2421bb6-4
0.266
BEN-DND-a7517465-1
0.266
MAK-UNK-8be7dca9-7
0.266
JAN-GHE-299e5c7e-4
0.266
MAT-POS-14f31916-1
0.266
PET-UNK-e274cad4-2
0.266
MAT-POS-d8472c4f-6
0.266
BEN-DND-a7517465-7
0.266
BEN-DND-c852c98b-9
0.265
BEN-DND-a7517465-9
0.265
JAG-UCB-c61058a9-5
0.265
JAG-UCB-c61058a9-1
0.264
JAG-UCB-c61058a9-3
0.264
JAG-UCB-c61058a9-29
0.264
JAG-UCB-47403a7c-1
0.264
MAR-TRE-8190bb11-75
0.264
BEN-DND-4f474d93-1
0.264
ALP-POS-ce760d3f-2
0.264
DAR-DIA-5a24bef0-13
0.264
PET-UNK-b1ef24dc-8
0.264
BEN-DND-4f474d93-3
0.264
MIC-UNK-8686cf1d-1
0.264
MAT-POS-14f31916-4
0.264