Molecular Properties | |
SMILES: | C=CC(=O)NC(C(=O)NCC)c1cccnc1 |
MW: | 233.12 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.09 |
cLogP: | 0.56 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-11
NIM-UNI-bb9030bf-6
0.782
NIM-UNI-bb9030bf-5
0.679
NIM-UNI-bb9030bf-14
0.656
NIM-UNI-bb9030bf-1
0.651
NIM-UNI-bb9030bf-11
0.631
NIM-UNI-bb9030bf-13
0.631
NIM-UNI-bb9030bf-15
0.621
NIM-UNI-bb9030bf-3
0.621
NIM-UNI-bb9030bf-10
0.612
NIM-UNI-bb9030bf-16
0.600
NIM-UNI-bb9030bf-2
0.594
NIM-UNI-bb9030bf-12
0.586
RAL-MED-9a5eb9cb-7
0.576
NIM-UNI-bb9030bf-8
0.554
NIM-UNI-bb9030bf-9
0.547
NIM-UNI-bb9030bf-7
0.539
LON-WEI-adc59df6-30
0.423
RAL-MED-9a5eb9cb-6
0.372
MAK-UNK-2c1752f0-2
0.362
LON-WEI-adc59df6-3
0.354
RAL-MED-9a5eb9cb-14
0.354
LON-WEI-adc59df6-31
0.353
MAK-UNK-ca11b4f7-2
0.350
RAL-MED-9a5eb9cb-10
0.346
MAT-POS-3d050446-1
0.346
LON-WEI-adc59df6-17
0.345
NIM-NMI-8bb27a2b-2
0.344
LON-WEI-adc59df6-21
0.341
NIR-WEI-f9286bb6-3
0.341
LON-WEI-adc59df6-28
0.341
NIM-NMI-8bb27a2b-16
0.341
LON-WEI-adc59df6-80
0.337
LON-WEI-adc59df6-75
0.337
LON-WEI-adc59df6-29
0.337
LON-WEI-adc59df6-69
0.337
LON-WEI-adc59df6-73
0.337
LON-WEI-adc59df6-2
0.337
NIM-NMI-8bb27a2b-12
0.337
LON-WEI-b8d98729-6
0.333
LON-WEI-adc59df6-72
0.333
NIM-NMI-8bb27a2b-4
0.333
NIM-NMI-8bb27a2b-11
0.333
ERI-UCB-fbdd3ea1-9
0.333
ERI-UCB-fbdd3ea1-13
0.333
ALP-POS-88a7a97e-14
0.333
LON-WEI-b8d98729-47
0.330
NIM-NMI-8bb27a2b-18
0.330
LON-WEI-adc59df6-26
0.330
NIM-NMI-8bb27a2b-19
0.330
NIM-NMI-8bb27a2b-24
0.330
NIR-WEI-f9286bb6-2
0.329
LON-WEI-8f408cad-8
0.329
BRU-LEF-973da26b-1
0.326
RAL-MED-9a5eb9cb-8
0.326
LON-WEI-adc59df6-62
0.326
LON-WEI-adc59df6-63
0.326
LON-WEI-adc59df6-71
0.326
ERI-UCB-fbdd3ea1-12
0.326
LON-WEI-b8d98729-23
0.326
LON-WEI-adc59df6-93
0.326
LON-WEI-b8d98729-35
0.323
JOH-IMS-62aeb97d-5
0.323
NIM-NMI-8bb27a2b-5
0.323
LON-WEI-adc59df6-27
0.322
BRU-LEF-e1854a6f-1
0.322
ERI-UCB-fbdd3ea1-16
0.322
LON-WEI-adc59df6-82
0.322
LON-WEI-adc59df6-97
0.322
LON-WEI-adc59df6-81
0.321
LON-WEI-b8d98729-33
0.319
LON-WEI-adc59df6-78
0.319
SID-ELM-433ea7f3-1
0.319
LON-WEI-b8d98729-24
0.319
LON-WEI-adc59df6-10
0.319
LON-WEI-adc59df6-36
0.319
LON-WEI-adc59df6-40
0.319
LON-WEI-d1c9908a-7
0.319
LON-WEI-adc59df6-91
0.318
ERI-UCB-fbdd3ea1-15
0.318
ERI-UCB-fbdd3ea1-4
0.318
LON-WEI-adc59df6-70
0.318
LON-WEI-b8d98729-7
0.318
RAL-MED-9a5eb9cb-12
0.318
ERI-UCB-fbdd3ea1-19
0.318
NIM-NMI-8bb27a2b-10
0.316
LON-WEI-b8d98729-2
0.316
LON-WEI-adc59df6-7
0.316
LON-WEI-adc59df6-87
0.315
NIM-NMI-8bb27a2b-23
0.315
LON-WEI-8f408cad-9
0.315
LON-WEI-adc59df6-74
0.315
LON-WEI-adc59df6-79
0.315
NIM-NMI-8bb27a2b-3
0.315
LON-WEI-adc59df6-44
0.314
LON-WEI-b8d98729-15
0.313
LON-WEI-8f408cad-10
0.312
RIT-AID-af4ac3d4-1
0.312
LON-WEI-b8d98729-27
0.312
LON-WEI-adc59df6-20
0.312
ERI-UCB-fbdd3ea1-31
0.312