Molecular Properties | |
SMILES: | C=CC(=O)NC(C(=O)NC(C)C)c1cccnc1 |
MW: | 247.13 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.09 |
cLogP: | 0.95 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-11
NIM-UNI-bb9030bf-4
0.679
NIM-UNI-bb9030bf-6
0.655
NIM-UNI-bb9030bf-16
0.623
RAL-MED-9a5eb9cb-7
0.594
NIM-UNI-bb9030bf-1
0.594
NIM-UNI-bb9030bf-11
0.576
NIM-UNI-bb9030bf-3
0.567
NIM-UNI-bb9030bf-10
0.559
NIM-UNI-bb9030bf-14
0.552
NIM-UNI-bb9030bf-13
0.552
NIM-UNI-bb9030bf-15
0.544
NIM-UNI-bb9030bf-2
0.543
NIM-UNI-bb9030bf-12
0.535
NIM-UNI-bb9030bf-9
0.500
NIM-UNI-bb9030bf-8
0.487
NIM-UNI-bb9030bf-7
0.474
LON-WEI-adc59df6-21
0.421
MAK-UNK-2c1752f0-2
0.400
RAL-MED-9a5eb9cb-6
0.382
ERI-UCB-fbdd3ea1-13
0.373
RAL-MED-9a5eb9cb-8
0.365
LON-WEI-adc59df6-3
0.364
RAL-MED-9a5eb9cb-14
0.362
MAK-UNK-ca11b4f7-2
0.362
LON-WEI-adc59df6-67
0.360
LON-WEI-adc59df6-72
0.358
ERI-UCB-fbdd3ea1-19
0.358
LON-WEI-adc59df6-64
0.356
LON-WEI-8f408cad-8
0.354
RAL-MED-9a5eb9cb-10
0.354
ERI-UCB-fbdd3ea1-18
0.349
LON-WEI-b8d98729-23
0.349
LON-WEI-adc59df6-96
0.349
LON-WEI-adc59df6-93
0.349
LON-WEI-b8d98729-32
0.349
LON-WEI-adc59df6-62
0.349
LON-WEI-adc59df6-63
0.349
LON-WEI-adc59df6-71
0.349
LON-WEI-adc59df6-94
0.349
ERI-UCB-fbdd3ea1-23
0.348
LON-WEI-adc59df6-80
0.346
LON-WEI-adc59df6-81
0.346
LON-WEI-b8d98729-10
0.345
LON-WEI-adc59df6-31
0.345
LON-WEI-adc59df6-69
0.345
LON-WEI-adc59df6-82
0.345
LON-WEI-adc59df6-99
0.345
ERI-UCB-fbdd3ea1-22
0.345
LON-WEI-adc59df6-75
0.345
LON-WEI-adc59df6-97
0.345
LON-WEI-adc59df6-89
0.345
LON-WEI-b8d98729-7
0.341
RAL-MED-9a5eb9cb-12
0.341
LON-WEI-adc59df6-70
0.341
ERI-UCB-fbdd3ea1-4
0.341
LON-WEI-b8d98729-6
0.341
ERI-UCB-fbdd3ea1-21
0.341
MAT-POS-3d050446-1
0.338
NIR-WEI-f9286bb6-2
0.337
LON-WEI-adc59df6-74
0.337
LON-WEI-adc59df6-86
0.337
LON-WEI-adc59df6-95
0.337
LON-WEI-adc59df6-87
0.337
LON-WEI-adc59df6-92
0.337
NIR-WEI-f9286bb6-3
0.333
LON-WEI-adc59df6-103
0.333
BRU-LEF-973da26b-1
0.333
LON-WEI-d1c9908a-1
0.333
JAN-GHE-d851b096-8
0.333
ERI-UCB-fbdd3ea1-17
0.333
ERI-UCB-fbdd3ea1-31
0.333
ERI-UCB-fbdd3ea1-11
0.333
LON-WEI-b8d98729-22
0.330
LON-WEI-adc59df6-41
0.330
BRU-LEF-e1854a6f-1
0.330
ERI-UCB-fbdd3ea1-20
0.330
LON-WEI-adc59df6-14
0.329
LON-WEI-adc59df6-73
0.329
LON-WEI-adc59df6-30
0.329
MED-UNK-e6e8ef8a-1
0.329
LON-WEI-adc59df6-66
0.326
LON-WEI-adc59df6-78
0.326
LON-WEI-d1c9908a-7
0.326
NIM-NMI-8bb27a2b-4
0.326
ERI-UCB-fbdd3ea1-7
0.326
ERI-UCB-fbdd3ea1-30
0.326
LON-WEI-b8d98729-24
0.326
LON-WEI-adc59df6-101
0.326
ERI-UCB-fbdd3ea1-15
0.326
LON-WEI-adc59df6-91
0.326
MAK-UNK-6ca90168-27
0.323
LON-WEI-b8d98729-47
0.322
LON-WEI-adc59df6-35
0.322
LON-WEI-adc59df6-79
0.322
NIM-NMI-8bb27a2b-24
0.322
LON-WEI-8f408cad-9
0.322
NIM-NMI-8bb27a2b-3
0.322
LON-WEI-adc59df6-44
0.321
LON-WEI-adc59df6-46
0.319
LON-WEI-adc59df6-98
0.319