Molecular Properties | |
SMILES: | C=CC(=O)c1cccc(N(C(=O)C2CCOc3ccccc32)C2CCNC2)c1 |
MW: | 376.18 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 58.64 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter44_michael_acceptor2
Ketone
CHE-UNK-1fcbaeee-1
0.625
CHE-UNK-1fcbaeee-4
0.519
CHE-UNK-1fcbaeee-2
0.500
CHE-UNK-1fcbaeee-3
0.389
ANT-OPE-3d7cb11b-2
0.343
MAK-UNK-3875bbc8-3
0.340
CHE-UNK-3dacc16b-3
0.336
EDJ-MED-2c295496-1
0.308
EDJ-MED-0e996074-1
0.308
NAU-LAT-8502cac5-9
0.306
ANT-OPE-66a89c65-1
0.305
ANT-OPE-3d7cb11b-1
0.301
ANT-OPE-66a89c65-2
0.299
RAL-THA-05e671eb-1
0.296
MAT-POS-090737b9-1
0.286
VLA-UCB-50c39ae8-7
0.286
VLA-UCB-05e51b3f-10
0.286
ANT-OPE-3d7cb11b-4
0.284
NAU-LAT-8502cac5-7
0.283
ROB-UNI-afd54964-1
0.281
NAU-LAT-8502cac5-1
0.279
MAR-TRE-92684b97-45
0.279
MAT-POS-162a9720-6
0.277
MAK-UNK-752736de-5
0.276
TAT-ENA-80bfd3e5-3
0.276
MAK-UNK-83e0a0b4-3
0.269
ALP-POS-8b8a49e1-2
0.268
NAU-LAT-64bf4c5d-1
0.268
VLA-UCB-34f3ed0c-19
0.266
MAK-UNK-83e0a0b4-4
0.263
VLA-UNK-5c5a631c-3
0.260
MAK-UNK-3875bbc8-1
0.259
DAR-DIA-5ff57136-11
0.258
ROB-UNI-569bc02e-2
0.258
PAU-WIS-d4065696-1
0.256
VLA-UCB-05e51b3f-9
0.256
VLA-UCB-50c39ae8-6
0.256
DAR-DIA-5ff57136-19
0.256
JOH-UNI-ea72002d-6
0.254
ANT-OPE-06da2058-1
0.252
VLA-UCB-05e51b3f-4
0.252
VLA-UCB-50c39ae8-1
0.252
RAL-THA-04c5403f-1
0.248
ROB-UNI-569bc02e-5
0.248
VLA-UCB-34f3ed0c-1
0.246
VLA-UNK-5c5a631c-2
0.246
MAK-UNK-3875bbc8-2
0.246
BEN-DND-a7517465-2
0.246
WIL-UCB-7ba4ac3a-2
0.246
JAN-GHE-f4ca5a00-23
0.246
VLA-UNK-0ffe3317-2
0.246
NIR-WEI-acbd6416-2
0.244
RAL-THA-9041a04d-4
0.244
FRA-DIA-a1f3a927-1
0.244
MAT-POS-a54ce14d-1
0.244
DAR-DIA-6a508060-8
0.244
DAR-DIA-6a508060-16
0.244
MIC-UNK-4c7b8ba7-2
0.241
DAR-DIA-6a508060-14
0.241
LON-WEI-0a73fcb8-5
0.241
MIC-UNK-42806bd5-4
0.241
DAR-DIA-5ff57136-13
0.240
DAR-DIA-6a508060-15
0.239
MAK-UNK-942dcb71-9
0.239
MAK-UNK-942dcb71-10
0.239
DAR-DIA-5ff57136-15
0.238
DAR-DIA-5ff57136-16
0.238
PET-UNK-064639eb-3
0.238
PET-UNK-064639eb-6
0.238
JAG-UCB-52b62a6f-17
0.237
VLA-UCB-05e51b3f-7
0.237
VLA-UCB-50c39ae8-4
0.237
LON-WEI-0a73fcb8-1
0.237
NAU-LAT-64bf4c5d-3
0.237
DAR-DIA-5ff57136-9
0.237
MAT-POS-9db1e783-3
0.237
MIC-UNK-fc94cdb5-2
0.236
JOH-UNI-ea72002d-1
0.236
MAK-UNK-83e0a0b4-2
0.236
NAU-LAT-b7d8c353-3
0.235
FRA-DIA-e29753f2-1
0.235
BEN-DND-b89db3f2-1
0.235
JAG-UCB-c61058a9-45
0.235
RAL-THA-9041a04d-3
0.235
VLA-UCB-05e51b3f-18
0.235
VLA-UCB-50c39ae8-11
0.235
MAK-UNK-83e0a0b4-1
0.235
LON-WEI-0a73fcb8-2
0.235
EDG-MED-fe7487f8-3
0.235
DAR-DIA-6a508060-7
0.235
VLA-UCB-34f3ed0c-20
0.234
DAR-DIA-5ff57136-17
0.234
ADA-UCB-b1b30a00-7
0.233
JAN-GHE-f4ca5a00-2
0.233
ROB-UNI-569bc02e-1
0.233
ROB-UNI-569bc02e-7
0.233
RAL-THA-05e671eb-7
0.233
DAR-DIA-6a508060-3
0.233
RAL-THA-3d7a794f-4
0.232
DAR-DIA-5ff57136-14
0.232