Molecular Properties | |
SMILES: | CC(=O)/C=C/CN1CCC(C(=O)Nc2ccccc2)CC1 |
MW: | 286.375 |
Fraction sp3: | 0.41 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 49.41 |
cLogP: | 2.4823 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated double bonds (2)
Ketones
Filter44_michael_acceptor2
Ketone
vinyl michael acceptor1
BEN-DND-031a96cc-4
0.763
JAG-SYN-9c2cd0bd-14
0.590
JAG-SYN-9c2cd0bd-9
0.565
JAG-SYN-9c2cd0bd-4
0.516
JAG-SYN-9c2cd0bd-3
0.508
LON-WEI-120e5cf5-15
0.508
MAR-TRE-6a44bbf2-86
0.508
JAG-SYN-9c2cd0bd-8
0.493
JAG-SYN-9c2cd0bd-7
0.471
BEN-DND-031a96cc-2
0.407
BEN-DND-031a96cc-3
0.395
BEN-DND-031a96cc-1
0.388
LON-WEI-120e5cf5-19
0.372
LON-WEI-120e5cf5-10
0.365
AAR-POS-0daf6b7e-32
0.362
LON-WEI-120e5cf5-20
0.356
BEN-DND-031a96cc-7
0.352
JAG-SYN-9c2cd0bd-5
0.338
AAR-POS-0daf6b7e-44
0.324
MAR-TRE-7f7bb9f0-26
0.322
LON-WEI-120e5cf5-11
0.316
MAR-TRE-3e4e6814-54
0.315
WIL-LEE-23e8b574-6
0.310
AAR-UNI-c25c2f1e-75
0.310
AHN-SAT-de2502ba-7
0.306
MAR-TRE-fd17a9b8-56
0.304
DRA-CSI-0a78d9ba-1
0.304
AAR-UNI-c25c2f1e-93
0.303
MAK-UNK-5d2caa6f-20
0.300
JOH-SUS-bab12148-1
0.299
GIA-UNK-3f36037a-2
0.297
TAT-ENA-80bfd3e5-23
0.297
LON-WEI-120e5cf5-4
0.294
MAR-TRE-d0525fbf-90
0.293
SAD-SAT-2fd372d1-8
0.292
SAD-SAT-6b5a89f0-8
0.290
KEI-TRE-d5e2018a-38
0.290
DRA-CSI-0a78d9ba-5
0.290
DRA-CSI-0a78d9ba-13
0.289
JAG-SYN-9c2cd0bd-6
0.287
AAR-POS-5507155c-2
0.286
LON-WEI-120e5cf5-2
0.286
LON-WEI-120e5cf5-6
0.286
CHR-SOS-7098f804-9
0.286
AAR-POS-f650c5f2-4
0.286
LON-WEI-120e5cf5-17
0.286
LON-WEI-120e5cf5-1
0.286
DAN-MCD-e5161b06-1
0.283
DAN-MCD-a37c31cb-1
0.283
DAN-MCD-68a9aade-1
0.283
MAR-TRE-f6f5f473-80
0.282
GIA-UNK-5ec6c2b8-3
0.282
ANU-UNK-2781581f-2
0.281
LON-WEI-120e5cf5-3
0.280
SAD-SAT-7d5528d9-7
0.280
GIA-UNK-3f36037a-7
0.279
MAR-TRE-6a44bbf2-15
0.278
AAR-POS-0daf6b7e-6
0.278
DRA-CSI-0a78d9ba-12
0.277
MAK-UNK-7a704a63-12
0.276
LON-WEI-120e5cf5-12
0.276
MAR-TRE-2fd8122f-29
0.275
MAR-TRE-2fd8122f-19
0.275
LON-WEI-120e5cf5-21
0.274
MAX-MCD-16e3709a-1
0.273
GIA-UNK-595fac82-5
0.273
LON-WEI-120e5cf5-16
0.272
MAK-UNK-3d7e3904-3
0.271
ZAC-WAB-0847d168-1
0.269
DRA-CSI-7ec17797-1
0.269
ASH-UNK-40b46b30-12
0.269
JAN-GHE-1d98ec1c-10
0.268
LON-WEI-120e5cf5-9
0.266
KEI-TRE-d5e2018a-73
0.266
AAR-POS-fca48359-5
0.266
MED-COV-4280ac29-17
0.265
MAK-UNK-c97f7c8f-2
0.265
MAR-TRE-3159af1a-24
0.265
DRA-CSI-0a78d9ba-2
0.264
CHR-SOS-7098f804-8
0.264
MAR-TRE-14ce9fd6-61
0.264
RED-SAT-26a928c9-1
0.264
ANU-UNK-2781581f-1
0.264
AAR-UNI-c25c2f1e-45
0.262
CAS-DEP-167c18e3-2
0.262
AAR-UNI-c25c2f1e-3
0.261
MAR-TRE-f6f5f473-87
0.261
JOH-UNI-522b0723-7
0.260
BEN-DND-031a96cc-6
0.260
SIM-SYN-a98e6a07-4
0.260
MAK-UNK-c8c8f7e2-26
0.260
MAK-UNK-7a704a63-13
0.260
SAD-SAT-65574d3f-1
0.260
AHN-SAT-de2502ba-14
0.260
MAK-UNK-c8c8f7e2-24
0.259
MAK-UNK-c8c8f7e2-22
0.259
DRA-CSI-0a78d9ba-10
0.259
MAK-UNK-a7992eb3-8
0.258
TAT-ENA-80bfd3e5-14
0.258
DRA-CSI-47e38074-2
0.257