Molecular Properties | |
SMILES: | C=CC(=O)c1cccc(N(C(=O)C2CCOc3ccccc32)c2cncc3ccccc23)c1 |
MW: | 434.16 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 59.5 |
cLogP: | 5.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter44_michael_acceptor2
Ketone
CHE-UNK-1fcbaeee-3
0.742
CHE-UNK-1fcbaeee-4
0.683
MAK-UNK-3875bbc8-3
0.571
CHE-UNK-1fcbaeee-5
0.500
MAK-UNK-3875bbc8-1
0.491
CHE-UNK-1fcbaeee-1
0.474
CHE-UNK-3dacc16b-3
0.465
MAT-POS-090737b9-1
0.460
VLA-UCB-05e51b3f-10
0.460
VLA-UCB-50c39ae8-7
0.460
WIL-UCB-7ba4ac3a-2
0.445
MAK-UNK-3875bbc8-2
0.445
JOH-UNI-ea72002d-6
0.441
RAL-THA-05e671eb-1
0.434
PET-UNK-064639eb-6
0.430
PET-UNK-064639eb-3
0.430
VLA-UNK-5c5a631c-3
0.427
VLA-UCB-05e51b3f-9
0.426
VLA-UCB-50c39ae8-6
0.426
VLA-UCB-05e51b3f-4
0.425
VLA-UCB-50c39ae8-1
0.425
DAR-DIA-5ff57136-11
0.424
DAR-DIA-5ff57136-15
0.424
VLA-UCB-34f3ed0c-19
0.420
DAR-DIA-5ff57136-16
0.412
VLA-UNK-5c5a631c-2
0.408
VLA-UCB-34f3ed0c-1
0.408
JOH-UNI-ea72002d-1
0.408
DAR-DIA-5ff57136-14
0.407
DAR-DIA-5ff57136-18
0.407
DAR-DIA-5ff57136-17
0.405
DAR-DIA-5ff57136-13
0.403
VLA-UNK-4b5c0188-1
0.403
DAR-DIA-5ff57136-19
0.403
BEN-DND-d1eb1f41-17
0.402
JOH-UNI-ea72002d-7
0.400
ALP-UNI-44c99a80-3
0.398
DAR-DIA-5ff57136-10
0.397
ALP-UNI-44c99a80-2
0.395
VLA-UCB-34f3ed0c-20
0.393
MAT-POS-9db1e783-3
0.392
DAR-DIA-5ff57136-9
0.392
VLA-UNK-5c5a631c-1
0.389
VLA-UCB-05e51b3f-7
0.388
VLA-UCB-50c39ae8-4
0.388
MAK-UNK-83e0a0b4-3
0.383
ADA-UCB-dc2b944c-5
0.374
RAL-THA-05e671eb-12
0.374
RAL-THA-05e671eb-5
0.374
NIR-THE-47736cde-1
0.373
MAT-POS-e69ad64a-2
0.373
NIR-THE-47736cde-2
0.373
DAR-DIA-5ff57136-12
0.372
MAK-UNK-83e0a0b4-4
0.370
RAL-THA-05e671eb-34
0.365
ALP-POS-6d96567b-2
0.364
MAT-POS-11b63608-1
0.362
ROB-UNI-afd54964-1
0.362
ALP-POS-a0a4abd7-6
0.361
ALF-EVA-a24cc7ce-2
0.357
DAR-DIA-6a508060-8
0.356
ALP-POS-a0a4abd7-9
0.353
NIR-THE-5be8b355-1
0.351
RAL-THA-05e671eb-36
0.347
DAR-DIA-5ff57136-1
0.347
DAR-DIA-5ff57136-2
0.347
NIR-WEI-acbd6416-2
0.345
FRA-DIA-a1f3a927-1
0.345
ALP-POS-a0a4abd7-7
0.343
MAT-POS-b3e365b9-1
0.342
MAT-POS-f7918075-1
0.342
RAL-THA-05e671eb-13
0.342
RAL-THA-05e671eb-4
0.342
MAT-POS-b3e365b9-2
0.342
VLA-UCB-1dbca3b4-15
0.342
ADA-UCB-dc2b944c-7
0.342
NIR-THE-af15c15d-1
0.341
NIR-THE-2069301b-1
0.336
ALP-POS-a0a4abd7-8
0.336
DAR-DIA-6a508060-3
0.333
RAL-THA-05e671eb-7
0.333
ALF-EVA-5b152d2f-4
0.333
RAL-THA-05e671eb-32
0.333
JOH-UNI-ea72002d-3
0.331
MAT-POS-e69ad64a-1
0.331
RAL-THA-05e671eb-8
0.331
RAL-THA-05e671eb-6
0.331
RAL-THA-05e671eb-14
0.331
RAL-THA-05e671eb-33
0.331
RAL-THA-05e671eb-3
0.331
RAL-THA-05e671eb-24
0.331
ALF-EVA-5b152d2f-6
0.328
DAR-DIA-6a508060-1
0.328
RAL-THA-05e671eb-15
0.328
DAR-DIA-6a508060-2
0.328
RAL-THA-05e671eb-35
0.325
JOH-UNI-21fd6073-3
0.320
EDJ-MED-e4b030d8-9
0.319
ANT-OPE-3d7cb11b-2
0.319
DAR-DIA-5ff57136-7
0.317