Molecular Properties | |
SMILES: | C=CC(=O)NC(C(=O)NCC1CCCC1=O)c1cccnc1 |
MW: | 301.14 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 88.16 |
cLogP: | 0.91 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Ketones
Ketone
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-11
NIM-UNI-bb9030bf-11
0.658
NIM-UNI-bb9030bf-10
0.640
NIM-UNI-bb9030bf-4
0.586
NIM-UNI-bb9030bf-6
0.569
NIM-UNI-bb9030bf-1
0.566
NIM-UNI-bb9030bf-14
0.551
NIM-UNI-bb9030bf-5
0.535
NIM-UNI-bb9030bf-13
0.512
NIM-UNI-bb9030bf-3
0.506
NIM-UNI-bb9030bf-15
0.506
NIM-UNI-bb9030bf-9
0.489
NIM-UNI-bb9030bf-2
0.488
NIM-UNI-bb9030bf-8
0.477
NIM-UNI-bb9030bf-16
0.471
RAL-MED-9a5eb9cb-7
0.451
NIM-UNI-bb9030bf-7
0.451
LON-WEI-adc59df6-32
0.318
RAL-MED-9a5eb9cb-8
0.317
ERI-UCB-fbdd3ea1-7
0.311
NIM-NMI-8bb27a2b-3
0.307
LON-WEI-adc59df6-19
0.306
ERI-UCB-fbdd3ea1-31
0.305
ERI-UCB-fbdd3ea1-6
0.305
LON-WEI-adc59df6-96
0.303
ERI-UCB-fbdd3ea1-22
0.300
LON-WEI-adc59df6-14
0.300
NIM-NMI-8bb27a2b-1
0.299
ERI-UCB-fbdd3ea1-5
0.299
NIM-NMI-8bb27a2b-4
0.298
NIM-NMI-8bb27a2b-11
0.298
RAL-MED-9a5eb9cb-6
0.298
JAN-GHE-d851b096-7
0.296
NIM-NMI-8bb27a2b-10
0.296
ERI-UCB-fbdd3ea1-19
0.296
LON-WEI-adc59df6-35
0.294
LON-WEI-adc59df6-44
0.293
LON-WEI-adc59df6-62
0.291
LON-WEI-adc59df6-63
0.291
LON-WEI-adc59df6-71
0.291
LON-WEI-adc59df6-94
0.291
RAL-MED-9a5eb9cb-15
0.291
LON-WEI-adc59df6-90
0.291
NIM-NMI-8bb27a2b-17
0.290
ERI-UCB-fbdd3ea1-18
0.290
LON-WEI-adc59df6-93
0.290
NIM-NMI-8bb27a2b-5
0.290
NIM-NMI-8bb27a2b-12
0.290
LON-WEI-adc59df6-21
0.289
LON-WEI-adc59df6-67
0.288
LON-WEI-adc59df6-8
0.288
LON-WEI-adc59df6-69
0.287
LON-WEI-adc59df6-75
0.287
LON-WEI-adc59df6-97
0.287
LON-WEI-adc59df6-22
0.287
RAL-MED-9a5eb9cb-14
0.286
LON-WEI-adc59df6-40
0.286
LON-WEI-adc59df6-64
0.286
NIM-NMI-8bb27a2b-15
0.286
ERI-UCB-fbdd3ea1-30
0.286
LON-WEI-adc59df6-30
0.286
ERI-UCB-fbdd3ea1-9
0.286
LON-WEI-adc59df6-13
0.284
ERI-UCB-fbdd3ea1-21
0.284
LON-WEI-adc59df6-3
0.284
ERI-UCB-fbdd3ea1-10
0.283
NIM-NMI-8bb27a2b-2
0.283
NIM-NMI-8bb27a2b-20
0.283
LON-WEI-adc59df6-92
0.283
LON-WEI-adc59df6-72
0.283
MAR-TRE-9d18ae8c-57
0.283
LON-WEI-adc59df6-86
0.282
NIM-NMI-8bb27a2b-19
0.282
NIM-NMI-8bb27a2b-24
0.282
ERI-UCB-fbdd3ea1-23
0.280
MAK-UNK-ca11b4f7-2
0.280
ERI-UCB-fbdd3ea1-8
0.279
MED-UNK-e6e8ef8a-1
0.279
LON-WEI-adc59df6-28
0.279
NAM-UNK-f7c77a48-2
0.279
RAL-MED-9a5eb9cb-10
0.278
MAT-POS-3d050446-1
0.278
LON-WEI-adc59df6-2
0.278
LON-WEI-b8d98729-23
0.277
LON-WEI-adc59df6-89
0.276
ERI-UCB-fbdd3ea1-20
0.276
NIR-WEI-f9286bb6-3
0.276
BEN-DND-031a96cc-2
0.276
ADA-UNI-f8e79267-5
0.275
LON-WEI-adc59df6-29
0.275
LON-WEI-adc59df6-31
0.275
LON-WEI-adc59df6-99
0.275
LON-WEI-adc59df6-85
0.274
LON-WEI-adc59df6-80
0.273
LON-WEI-b8d98729-15
0.272
RAL-MED-9a5eb9cb-9
0.272
ERI-UCB-fbdd3ea1-13
0.272
LON-WEI-adc59df6-39
0.271
NIM-NMI-8bb27a2b-6
0.271
NIM-NMI-8bb27a2b-18
0.271
NIM-NMI-8bb27a2b-23
0.271