Molecular Properties | |
SMILES: | C=C(C(=O)CN1CCN(C(C)=O)CC1)c1cnccc1C |
MW: | 287.16 |
Fraction sp3: | 0.44 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 53.51 |
cLogP: | 1.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
Filter44_michael_acceptor2
Ketone
BEN-DND-6de5dfa0-26
0.554
EDJ-MED-3c65e9ce-1
0.478
BEN-DND-93268d01-8
0.478
BEN-DND-6de5dfa0-17
0.465
BEN-DND-6de5dfa0-6
0.416
BEN-DND-6de5dfa0-25
0.411
BEN-DND-6de5dfa0-19
0.392
BEN-DND-6de5dfa0-22
0.384
VLA-UCB-05e51b3f-3
0.378
BEN-DND-6de5dfa0-21
0.377
NIR-THE-b7e8e081-1
0.377
BEN-DND-6de5dfa0-20
0.377
BEN-DND-6de5dfa0-23
0.375
BEN-DND-09b88bf4-6
0.372
BEN-DND-6de5dfa0-7
0.372
EDJ-MED-3c65e9ce-3
0.370
EDJ-MED-3c65e9ce-2
0.367
BEN-DND-6de5dfa0-18
0.360
BEN-DND-09b88bf4-2
0.359
BEN-DND-03406596-7
0.359
BEN-DND-6de5dfa0-1
0.359
BEN-DND-6de5dfa0-16
0.354
NIR-THE-b7e8e081-2
0.354
RED-SAT-26a928c9-1
0.353
ANU-UNK-2781581f-1
0.353
BEN-DND-09b88bf4-5
0.351
BEN-DND-93268d01-9
0.351
BEN-DND-6de5dfa0-24
0.347
BEN-DND-09b88bf4-8
0.346
BEN-DND-6de5dfa0-10
0.342
BEN-DND-93268d01-11
0.333
ALP-POS-6747fa38-1
0.333
VLA-UCB-05e51b3f-1
0.333
NIR-THE-d08c3b48-1
0.333
NAU-LAT-a5c7d7cb-1
0.333
BEN-DND-6de5dfa0-11
0.333
BEN-DND-09b88bf4-1
0.329
BEN-DND-6de5dfa0-2
0.329
NAU-LAT-3f5f3993-5
0.329
BEN-DND-09b88bf4-3
0.329
BEN-DND-6de5dfa0-3
0.329
BEN-DND-22e6b372-1
0.325
BEN-DND-09b88bf4-7
0.322
NAU-LAT-3f5f3993-10
0.315
NAU-LAT-3f5f3993-3
0.314
BEN-DND-93268d01-10
0.312
EDJ-MED-3c65e9ce-4
0.304
NAU-LAT-3f5f3993-2
0.304
BEN-DND-6de5dfa0-14
0.301
MAK-UNK-902cc841-15
0.299
BAR-COM-0f94fc3d-6
0.298
BEN-DND-6de5dfa0-15
0.298
BEN-DND-6de5dfa0-5
0.296
MAK-UNK-902cc841-17
0.295
ALE-HEI-f28a35b5-17
0.293
SCO-VAN-260d9628-1
0.293
BEN-VAN-c986b20b-1
0.291
LON-WEI-b8d98729-4
0.289
NAU-LAT-3f5f3993-4
0.289
JAN-GHE-1d98ec1c-7
0.289
BAR-COM-0f94fc3d-21
0.289
BAR-COM-0f94fc3d-30
0.289
BEN-DND-6de5dfa0-12
0.286
MAK-UNK-6435e6c2-3
0.286
VLA-UCB-05e51b3f-2
0.283
NAU-LAT-a5c7d7cb-3
0.283
MAK-UNK-6435e6c2-2
0.282
NAU-LAT-3f5f3993-1
0.281
BEN-VAN-c986b20b-3
0.279
BEN-VAN-c986b20b-2
0.279
BEN-VAN-c986b20b-17
0.279
EDJ-MED-c9f55a56-1
0.278
STE-UNK-dfade101-2
0.278
BEN-DND-6de5dfa0-4
0.277
JAN-GHE-1d98ec1c-6
0.277
BEN-DND-09b88bf4-4
0.277
AAR-POS-d2a4d1df-3
0.277
MAK-UNK-6435e6c2-8
0.277
WIL-LEE-23e8b574-2
0.276
SAD-SAT-b55127ae-4
0.276
BEN-VAN-c986b20b-15
0.276
KIM-UNI-2ee5d8f9-1
0.274
MAT-POS-590ac91e-6
0.273
ERI-UCB-5b47150d-5
0.273
BEN-DND-6de5dfa0-9
0.273
SAM-UNK-2684b532-10
0.272
KIM-UNI-60f168f5-4
0.272
WIL-LEE-23e8b574-3
0.272
JAN-GHE-fd8d85a5-10
0.272
KIM-UNI-7d12df64-1
0.272
MAK-UNK-6ca90168-26
0.271
SEL-UNI-8426c22c-4
0.271
JON-UIO-066ce08b-3
0.270
BEN-DND-6de5dfa0-8
0.270
WIL-LEE-23e8b574-7
0.269
ISA-SCH-8e98219b-2
0.269
ERI-UCB-5b47150d-6
0.269
MAK-UNK-7264f48c-6
0.269
KIM-UNI-60f168f5-6
0.268
BEN-DND-22e6b372-4
0.268