Molecular Properties | |
SMILES: | C=CC(=O)c1cccc(N(C(=O)C2CCOc3ccccc32)C2CNc3ccccc32)c1 |
MW: | 424.18 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 58.64 |
cLogP: | 5.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter44_michael_acceptor2
Ketone
CHE-UNK-1fcbaeee-5
0.625
CHE-UNK-1fcbaeee-4
0.519
CHE-UNK-1fcbaeee-2
0.474
CHE-UNK-1fcbaeee-3
0.370
CHE-UNK-3dacc16b-3
0.342
ANT-OPE-3d7cb11b-2
0.336
MAK-UNK-3875bbc8-3
0.321
ANT-OPE-3d7cb11b-1
0.296
EDJ-MED-2c295496-1
0.291
EDJ-MED-0e996074-1
0.291
NAU-LAT-8502cac5-9
0.289
ANT-OPE-66a89c65-1
0.288
TAT-ENA-80bfd3e5-3
0.283
ANT-OPE-66a89c65-2
0.283
RAL-THA-05e671eb-1
0.281
MAT-POS-090737b9-1
0.272
VLA-UCB-50c39ae8-7
0.272
VLA-UCB-05e51b3f-10
0.272
ANT-OPE-3d7cb11b-4
0.270
NAU-LAT-8502cac5-7
0.269
ROB-UNI-afd54964-1
0.267
NAU-LAT-8502cac5-1
0.265
VLA-UCB-34f3ed0c-19
0.264
MAR-TRE-92684b97-45
0.252
VLA-UCB-05e51b3f-4
0.250
MAK-UNK-752736de-5
0.250
VLA-UCB-50c39ae8-1
0.250
MAT-POS-162a9720-6
0.248
DAR-DIA-5ff57136-11
0.246
MAK-UNK-3875bbc8-1
0.246
LON-WEI-0a73fcb8-1
0.246
PAU-WIS-d4065696-1
0.244
JOH-UNI-ea72002d-6
0.242
DAR-DIA-6a508060-16
0.242
UNK-UNK-2ede4078-50
0.239
ANT-OPE-06da2058-1
0.239
LON-WEI-0a73fcb8-5
0.239
VLA-UNK-5c5a631c-3
0.238
RAL-THA-05e671eb-34
0.238
DAR-DIA-5ff57136-19
0.235
VLA-UNK-5c5a631c-2
0.235
VLA-UCB-34f3ed0c-1
0.235
MAK-UNK-83e0a0b4-4
0.234
VLA-UCB-05e51b3f-9
0.234
VLA-UCB-50c39ae8-6
0.234
WIL-UCB-7ba4ac3a-2
0.234
MAK-UNK-3875bbc8-2
0.234
VLA-UNK-0ffe3317-2
0.233
ALP-POS-8b8a49e1-2
0.233
NAU-LAT-64bf4c5d-1
0.233
LON-WEI-0a73fcb8-2
0.233
VLA-UCB-34f3ed0c-20
0.233
FRA-DIA-a1f3a927-1
0.232
MAT-POS-a54ce14d-1
0.232
NIR-WEI-acbd6416-2
0.232
RAL-THA-9041a04d-4
0.232
DAR-DIA-5ff57136-18
0.231
MAK-UNK-83e0a0b4-3
0.230
DAR-DIA-6a508060-14
0.229
NAU-LAT-b7d8c353-5
0.228
VLA-UCB-05e51b3f-8
0.228
VLA-UCB-50c39ae8-5
0.228
DAR-DIA-5ff57136-15
0.227
DAR-DIA-5ff57136-16
0.227
VLA-UCB-05e51b3f-7
0.227
VLA-UCB-50c39ae8-4
0.227
BRU-CON-c4e3408a-1
0.227
DAR-DIA-6a508060-6
0.227
JAN-GHE-f4ca5a00-13
0.227
MAT-POS-b3e365b9-3
0.227
MAT-POS-b3e365b9-4
0.227
ERI-UCB-9c7ec71b-3
0.227
DAR-DIA-6a508060-15
0.227
PET-UNK-064639eb-3
0.227
PET-UNK-064639eb-6
0.227
DAR-DIA-5ff57136-9
0.226
MAT-POS-9db1e783-3
0.226
JOH-UNI-f51e3bbc-1
0.226
RAL-THA-04c5403f-1
0.226
RAL-THA-9041a04d-5
0.226
EDJ-MED-ba7e64f2-2
0.226
JOH-UNI-ea72002d-1
0.226
JAG-UCB-c61058a9-36
0.225
MIC-UNK-42806bd5-3
0.224
ALP-POS-8b8a49e1-1
0.224
BEN-DND-a7517465-2
0.224
FRA-DIA-e29753f2-1
0.224
BEN-DND-b89db3f2-1
0.224
JAG-UCB-c61058a9-45
0.224
VLA-UCB-05e51b3f-18
0.224
VLA-UCB-50c39ae8-11
0.224
NAU-LAT-b7d8c353-3
0.224
DAR-DIA-6a508060-7
0.223
JAN-GHE-f4ca5a00-2
0.222
MAK-UNK-d508046f-10
0.221
JUL-TUD-06b2044f-90
0.221
DAR-DIA-5ff57136-14
0.221
MAR-TRE-92684b97-61
0.221
ADA-UCB-dc2b944c-10
0.220
DAR-DIA-5ff57136-13
0.220