Molecular Properties | |
SMILES: | O=CCCN(C(=O)C1CCOC2C=CC=CC21)c1cncc2ccccc12 |
MW: | 362.16 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 59.5 |
cLogP: | 3.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aldehyde
aldehyde
Aldehydes
Filter38_aldehyde
aldehyde
aldehyde
Aldehyde
WEN-TEX-cd7d53aa-1
0.569
VLA-UNK-5c5a631c-2
0.491
MAK-UNK-83e0a0b4-3
0.374
MAK-UNK-c749d764-20
0.373
MAK-UNK-c749d764-19
0.370
ALP-UNI-44c99a80-3
0.367
MAK-UNK-c749d764-5
0.364
MAK-UNK-c749d764-21
0.363
CYN-UNK-c04ce8cb-1
0.360
VLA-UNK-4b5c0188-1
0.359
MAK-UNK-c749d764-24
0.358
VLA-UNK-5c5a631c-1
0.358
NIR-THE-5be8b355-1
0.352
NAU-LAT-4ce8bf23-2
0.349
VLA-UNK-5c5a631c-3
0.347
DAR-DIA-5ff57136-13
0.347
ALP-UNI-44c99a80-4
0.345
MAK-UNK-83e0a0b4-4
0.341
MAK-UNK-c749d764-28
0.339
MAK-UNK-c749d764-18
0.339
DAR-DIA-5ff57136-17
0.339
ALP-POS-a0a4abd7-8
0.336
ALP-POS-a0a4abd7-7
0.333
ALP-POS-a0a4abd7-9
0.333
VLA-UCB-50c39ae8-6
0.333
VLA-UCB-05e51b3f-9
0.333
ALP-POS-a0a4abd7-6
0.331
ALP-UNI-44c99a80-2
0.331
JOH-UNI-21fd6073-3
0.331
MAK-UNK-c749d764-3
0.322
VLA-UCB-05e51b3f-4
0.319
VLA-UCB-50c39ae8-1
0.319
JOH-UNI-a38a7bdd-2
0.318
MAK-UNK-3875bbc8-1
0.316
MAK-UNK-c749d764-29
0.316
JOH-UNI-a38a7bdd-5
0.316
MAK-UNK-3875bbc8-3
0.315
DAR-DIA-5ff57136-1
0.314
DAR-DIA-5ff57136-2
0.314
WIL-UCB-7ba4ac3a-2
0.313
MAK-UNK-3875bbc8-2
0.313
ALP-POS-6d96567b-2
0.313
MAK-UNK-c749d764-16
0.312
DAR-DIA-5ff57136-11
0.311
DAR-DIA-0d514e7d-31
0.311
MAK-UNK-c749d764-33
0.310
VLA-UCB-50c39ae8-7
0.308
VLA-UCB-05e51b3f-10
0.308
MAT-POS-090737b9-1
0.308
JOH-UNI-21fd6073-4
0.307
DAR-DIA-5ff57136-19
0.307
MAK-UNK-c749d764-10
0.307
JOH-UNI-21fd6073-2
0.307
JOH-UNI-ea72002d-6
0.306
DAR-DIA-5ff57136-18
0.306
PET-UNK-12d8d43f-1
0.306
PET-UNK-e8c7a26f-1
0.306
MAK-UNK-c749d764-25
0.304
PET-UNK-064639eb-1
0.303
PET-UNK-064639eb-4
0.303
PET-UNK-064639eb-3
0.303
PET-UNK-064639eb-6
0.303
ALP-UNI-44c99a80-1
0.302
JOH-UNI-ea72002d-7
0.301
DAR-DIA-5ff57136-15
0.301
JOH-UNI-ea72002d-1
0.298
DAR-DIA-5ff57136-10
0.298
VLA-UCB-34f3ed0c-19
0.298
ALF-EVA-a24cc7ce-2
0.298
MAT-POS-e69ad64a-3
0.297
JOH-UNI-a38a7bdd-6
0.297
DAR-DIA-5ff57136-14
0.295
DAR-DIA-076fb6ea-1
0.295
VLA-UCB-05e51b3f-16
0.295
MAT-POS-e69ad64a-2
0.294
NIR-THE-47736cde-2
0.294
NIR-THE-47736cde-1
0.294
VLA-UCB-05e51b3f-17
0.294
NIR-THE-2069301b-1
0.292
DAR-DIA-5ff57136-16
0.290
DAR-DIA-5ff57136-12
0.290
BEN-DND-d1eb1f41-17
0.289
CHE-UNK-1fcbaeee-3
0.288
VLA-UCB-34f3ed0c-1
0.288
MAT-POS-bb423b95-7
0.287
DAR-DIA-076fb6ea-8
0.287
MAT-POS-e69ad64a-1
0.287
MAT-POS-9db1e783-3
0.287
DAR-DIA-5ff57136-9
0.287
VLA-UCB-34f3ed0c-20
0.286
MAK-UNK-c749d764-15
0.283
JOH-UNI-a38a7bdd-1
0.283
ALF-EVA-a24cc7ce-7
0.283
JOH-UNI-21fd6073-1
0.283
PET-UNK-064639eb-2
0.282
PET-UNK-064639eb-5
0.282
MAK-UNK-c749d764-31
0.282
PET-UNK-6c2be958-1
0.282
VLA-UCB-05e51b3f-15
0.282
DAR-DIA-076fb6ea-15
0.281