Molecular Properties | |
SMILES: | C=CC(=O)c1cccc(N(C(=O)C2CCOc3ccccc32)c2cnccc2C)c1 |
MW: | 398.16 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 59.5 |
cLogP: | 4.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter44_michael_acceptor2
Ketone
CHE-UNK-1fcbaeee-2
0.683
CHE-UNK-3dacc16b-3
0.680
CHE-UNK-1fcbaeee-5
0.519
CHE-UNK-1fcbaeee-1
0.519
CHE-UNK-1fcbaeee-3
0.500
MAK-UNK-3875bbc8-3
0.389
ANT-OPE-3d7cb11b-2
0.343
DAR-DIA-5ff57136-3
0.336
DAR-DIA-5ff57136-4
0.336
MAK-UNK-3875bbc8-1
0.328
SAD-SAT-7d5528d9-3
0.321
MAT-POS-090737b9-1
0.320
VLA-UCB-05e51b3f-10
0.320
VLA-UCB-50c39ae8-7
0.320
ANT-OPE-66a89c65-1
0.318
ANT-OPE-3d7cb11b-1
0.315
RAL-THA-05e671eb-1
0.310
EDJ-MED-0e996074-1
0.309
EDJ-MED-2c295496-1
0.309
NAU-LAT-8502cac5-7
0.308
ROB-UNI-afd54964-1
0.305
ANT-OPE-66a89c65-2
0.301
BRU-CON-c4e3408a-1
0.298
MAT-POS-b3e365b9-4
0.298
JAN-GHE-f4ca5a00-13
0.298
DAR-DIA-6a508060-6
0.298
MAT-POS-b3e365b9-3
0.298
JOH-UNI-ea72002d-6
0.297
NAU-LAT-8502cac5-1
0.293
MAK-UNK-3875bbc8-2
0.292
WIL-UCB-7ba4ac3a-2
0.292
DAR-DIA-5ff57136-16
0.291
DAR-DIA-5ff57136-15
0.291
TRY-UNI-69298daf-1
0.289
ANT-OPE-3d7cb11b-4
0.287
VLA-UCB-05e51b3f-4
0.287
VLA-UCB-50c39ae8-1
0.287
RAL-THA-05e671eb-34
0.286
NAU-LAT-8502cac5-9
0.284
DAR-DIA-5ff57136-11
0.281
VLA-UCB-34f3ed0c-19
0.279
JOH-UNI-ea72002d-1
0.279
TAT-ENA-80bfd3e5-3
0.279
UNK-UNK-2ede4078-50
0.278
DAR-DIA-5ff57136-19
0.278
DAR-DIA-5ff57136-8
0.277
DAR-DIA-5ff57136-14
0.276
VLA-UNK-5c5a631c-3
0.273
VLA-UNK-4b5c0188-1
0.273
ADA-UCB-dc2b944c-5
0.273
RAL-THA-05e671eb-5
0.273
PET-UNK-064639eb-6
0.272
PET-UNK-064639eb-3
0.272
BEN-DND-d1eb1f41-12
0.272
JOH-UNI-ea72002d-7
0.271
MAR-TRE-92684b97-45
0.270
VLA-UCB-05e51b3f-9
0.270
BEN-DND-d1eb1f41-17
0.270
VLA-UCB-50c39ae8-6
0.270
VLA-UNK-5c5a631c-2
0.269
VLA-UCB-34f3ed0c-1
0.269
DAR-DIA-5ff57136-9
0.269
MAT-POS-9db1e783-3
0.269
RAL-THA-9041a04d-4
0.268
MAT-POS-a54ce14d-1
0.268
DAR-DIA-6a508060-14
0.267
DAR-DIA-5ff57136-17
0.267
DAR-DIA-5ff57136-18
0.266
DAR-DIA-076fb6ea-2
0.265
ERI-UCB-5b47150d-5
0.265
DAR-DIA-5ff57136-13
0.264
LON-WEI-0a73fcb8-1
0.263
MAT-POS-b5c94171-1
0.263
RAL-THA-04c5403f-1
0.262
RAL-THA-05e671eb-12
0.262
ALP-UNI-44c99a80-2
0.261
BAR-COM-ebf5acce-4
0.261
LON-WEI-0a73fcb8-2
0.261
ERI-UCB-9c7ec71b-2
0.261
EDJ-MED-e9694d2b-1
0.261
DAR-DIA-5ff57136-10
0.260
VLA-UCB-05e51b3f-7
0.259
VLA-UCB-50c39ae8-4
0.259
JAN-GHE-d851b096-1
0.259
DAR-DIA-6a508060-16
0.258
NAU-LAT-b7d8c353-6
0.258
VLA-UCB-34f3ed0c-20
0.258
VLA-UNK-5c5a631c-1
0.257
LON-WEI-0a73fcb8-5
0.257
ANT-OPE-06da2058-1
0.256
BEN-DND-a7517465-1
0.256
BEN-DND-a7517465-7
0.256
TRY-UNI-69298daf-2
0.256
EDG-MED-a20b5824-1
0.254
DAR-DIA-6a508060-15
0.254
BAR-COM-ebf5acce-8
0.254
ALP-UNI-44c99a80-3
0.254
MAK-UNK-83e0a0b4-3
0.254
RAL-THA-9041a04d-5
0.252
PAU-WIS-d4065696-1
0.250