Molecular Properties | |
SMILES: | CCCCN(C(=O)CC1CCCC(C(F)F)C1O)c1cncc2ccccc12 |
MW: | 390.21 |
Fraction sp3: | 0.55 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 53.43 |
cLogP: | 4.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAK-UNK-c749d764-20
0.861
MAK-UNK-c749d764-24
0.778
MAK-UNK-c749d764-5
0.753
MAK-UNK-c749d764-19
0.735
MAK-UNK-c749d764-18
0.724
MAK-UNK-c749d764-3
0.660
MAK-UNK-c749d764-10
0.648
MAK-UNK-c749d764-16
0.644
MAK-UNK-c749d764-33
0.636
MAK-UNK-c749d764-28
0.632
MAK-UNK-c749d764-25
0.622
MAK-UNK-c749d764-29
0.604
MAK-UNK-c749d764-15
0.544
MAK-UNK-c749d764-31
0.490
MAK-UNK-c749d764-8
0.484
NAU-LAT-4ce8bf23-2
0.402
MAK-UNK-b7886382-3
0.370
MAK-UNK-c749d764-2
0.366
WEN-TEX-0031cf67-1
0.363
WEN-TEX-cd7d53aa-1
0.357
JOH-UNI-a38a7bdd-2
0.356
MAK-UNK-ffc90da7-2
0.353
MAK-UNK-c749d764-12
0.353
MAK-UNK-c749d764-4
0.350
JOH-UNI-21fd6073-3
0.342
VLA-UNK-5c5a631c-2
0.342
MAK-UNK-83e0a0b4-4
0.341
MAK-UNK-c749d764-26
0.337
MAK-UNK-c749d764-1
0.333
ALF-EVA-a24cc7ce-7
0.333
JOH-UNI-a38a7bdd-1
0.330
PET-UNK-6c2be958-1
0.330
VLA-UCB-05e51b3f-15
0.330
PET-UNK-12d8d43f-1
0.330
VLA-UNK-5c5a631c-1
0.325
VLA-UNK-4b5c0188-1
0.325
ALP-UNI-44c99a80-1
0.324
MAT-POS-bb423b95-7
0.324
ALP-UNI-44c99a80-4
0.321
MAT-POS-173a45da-1
0.321
DAR-DIA-56cf811e-1
0.318
VLA-UCB-05e51b3f-17
0.317
JOH-UNI-21fd6073-4
0.317
ALP-POS-a0a4abd7-8
0.316
JOH-UNI-a38a7bdd-5
0.315
DAR-DIA-5ff57136-13
0.314
ALP-POS-a0a4abd7-9
0.313
ALP-POS-6d96567b-2
0.312
MIC-UNK-cdc2493e-1
0.312
ALP-UNI-44c99a80-3
0.311
MIC-UNK-cdc2493e-2
0.310
NIR-THE-5be8b355-1
0.310
MAK-UNK-83e0a0b4-3
0.310
JOH-UNI-ee5ed7c8-7
0.309
JOH-UNI-3fc3434e-7
0.309
ALP-UNI-44c99a80-2
0.309
JOH-UNI-50ce7ec3-2
0.308
VLA-UCB-05e51b3f-14
0.307
EDJ-MED-c314995a-1
0.307
JOH-UNI-a38a7bdd-6
0.307
DAR-DIA-5ff57136-17
0.306
PET-UNK-12d8d43f-2
0.306
PET-UNK-a692de38-1
0.306
PET-UNK-e8c7a26f-1
0.305
ALP-POS-a0a4abd7-7
0.304
MIC-UNK-bcd487e9-3
0.304
MIC-UNK-cdc2493e-19
0.304
DAR-DIA-076fb6ea-15
0.303
MAK-UNK-3875bbc8-3
0.303
PET-UNK-064639eb-2
0.303
PET-UNK-064639eb-5
0.303
DAR-DIA-5ff57136-2
0.303
DAR-DIA-5ff57136-1
0.303
CYN-UNK-c04ce8cb-1
0.302
DAR-DIA-56cf811e-3
0.301
ALP-POS-a0a4abd7-6
0.300
BEN-DND-d1eb1f41-17
0.299
MIC-UNK-cdc2493e-15
0.299
PET-UNK-5ecb6237-1
0.299
MIC-UNK-bcd487e9-2
0.298
DAR-DIA-076fb6ea-9
0.298
DAR-DIA-076fb6ea-8
0.297
ALF-EVA-a24cc7ce-2
0.297
EDJ-MED-e4b030d8-6
0.297
MAK-UNK-b7886382-4
0.295
DAR-DIA-076fb6ea-1
0.294
VLA-UCB-05e51b3f-16
0.294
DAR-DIA-076fb6ea-11
0.293
MIC-UNK-bcd487e9-4
0.293
MIC-UNK-bcd487e9-6
0.293
DAR-DIA-076fb6ea-3
0.293
MAK-UNK-3875bbc8-1
0.292
VLA-UNK-5c5a631c-3
0.292
VLA-UCB-34f3ed0c-6
0.291
WIL-UCB-7ba4ac3a-2
0.289
DAR-DIA-56cf811e-5
0.289
MAK-UNK-3875bbc8-2
0.289
JOH-UNI-50ce7ec3-1
0.288
VLA-UCB-05e51b3f-9
0.288
VLA-UCB-50c39ae8-6
0.288