Molecular Properties | |
SMILES: | C=CC(=O)NC(C(=O)NCc1ccc(C(F)(F)F)cc1)c1cccnc1 |
MW: | 363.12 |
Fraction sp3: | 0.17 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 71.09 |
cLogP: | 2.76 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-11
NIM-UNI-bb9030bf-3
0.729
NIM-UNI-bb9030bf-1
0.710
NIM-UNI-bb9030bf-8
0.613
NIM-UNI-bb9030bf-6
0.600
NIM-UNI-bb9030bf-4
0.594
NIM-UNI-bb9030bf-13
0.579
NIM-UNI-bb9030bf-14
0.579
NIM-UNI-bb9030bf-15
0.571
NIM-UNI-bb9030bf-5
0.543
NIM-UNI-bb9030bf-7
0.523
NIM-UNI-bb9030bf-11
0.519
NIM-UNI-bb9030bf-9
0.512
NIM-UNI-bb9030bf-10
0.506
NIM-UNI-bb9030bf-16
0.500
NIM-NMI-8bb27a2b-28
0.489
NIM-UNI-bb9030bf-12
0.488
NIM-NMI-8bb27a2b-20
0.467
RAL-MED-9a5eb9cb-7
0.457
RAL-MED-9a5eb9cb-10
0.414
LON-WEI-adc59df6-23
0.412
NIM-NMI-8bb27a2b-24
0.409
NIM-NMI-8bb27a2b-27
0.406
NIM-NMI-8bb27a2b-16
0.404
LON-WEI-adc59df6-20
0.402
LON-WEI-adc59df6-36
0.396
NIM-NMI-8bb27a2b-19
0.394
RAL-MED-9a5eb9cb-11
0.388
ERI-UCB-fbdd3ea1-4
0.385
RAL-MED-9a5eb9cb-12
0.385
RAL-MED-9a5eb9cb-9
0.383
LON-WEI-adc59df6-40
0.381
NIM-NMI-8bb27a2b-25
0.380
NIM-NMI-8bb27a2b-18
0.378
NIM-NMI-8bb27a2b-23
0.378
NIM-NMI-8bb27a2b-17
0.376
LON-WEI-adc59df6-28
0.375
LON-WEI-b8d98729-27
0.374
NIM-NMI-8bb27a2b-13
0.369
LON-WEI-babf2c61-9
0.369
RAL-MED-9a5eb9cb-15
0.361
BRU-LEF-8bac3ce8-1
0.357
NIM-NMI-8bb27a2b-22
0.357
NIM-NMI-8bb27a2b-26
0.356
LON-WEI-b8d98729-41
0.354
NIM-NMI-8bb27a2b-15
0.354
NIM-NMI-8bb27a2b-10
0.350
MAR-TRE-04c86cea-90
0.348
LON-WEI-adc59df6-21
0.348
LON-WEI-b8d98729-39
0.346
ERI-UCB-fbdd3ea1-1
0.346
ERI-UCB-fbdd3ea1-2
0.346
ERI-UCB-fbdd3ea1-16
0.343
ERI-UCB-fbdd3ea1-15
0.340
RAL-MED-9a5eb9cb-4
0.340
LON-WEI-b8d98729-37
0.340
ALP-POS-02c6a514-57
0.337
RAL-MED-9a5eb9cb-1
0.337
NIM-NMI-8bb27a2b-21
0.337
RAL-MED-9a5eb9cb-5
0.336
ERI-UCB-fbdd3ea1-17
0.333
LON-WEI-adc59df6-31
0.330
LON-WEI-adc59df6-75
0.330
LON-WEI-adc59df6-30
0.330
LON-WEI-adc59df6-3
0.330
LON-WEI-adc59df6-15
0.327
LON-WEI-adc59df6-91
0.327
MAT-POS-3d050446-1
0.323
ALP-POS-88a7a97e-8
0.321
LON-WEI-adc59df6-29
0.316
LON-WEI-adc59df6-17
0.310
LON-WEI-adc59df6-26
0.310
LON-WEI-8f408cad-8
0.309
LON-POS-586a7c45-1
0.308
LON-WEI-adc59df6-47
0.308
PAU-WEI-5b8d5051-1
0.308
NIM-NMI-8bb27a2b-14
0.306
ERI-UCB-fbdd3ea1-3
0.305
LON-WEI-adc59df6-41
0.304
LON-WEI-adc59df6-27
0.304
LON-WEI-adc59df6-82
0.303
LON-WEI-adc59df6-97
0.303
RAL-MED-9a5eb9cb-14
0.302
LON-WEI-adc59df6-80
0.302
ALP-POS-88a7a97e-4
0.302
RAL-MED-9a5eb9cb-6
0.301
LON-WEI-adc59df6-10
0.301
LON-WEI-adc59df6-78
0.301
LON-WEI-d1c9908a-7
0.301
NIM-NMI-8bb27a2b-4
0.301
ERI-UCB-fbdd3ea1-13
0.300
NAU-LAT-64f4b287-9
0.300
MAR-TRE-4b834d9a-92
0.300
LON-WEI-adc59df6-72
0.299
ERI-UCB-fbdd3ea1-19
0.299
LON-WEI-adc59df6-13
0.298
NIM-NMI-8bb27a2b-2
0.298
NIM-NMI-8bb27a2b-8
0.297
LON-WEI-adc59df6-44
0.296
LON-WEI-adc59df6-46
0.295
LON-WEI-adc59df6-98
0.295