Molecular Properties | |
SMILES: | C=CC(=O)NC(C(=O)NCc1cnco1)c1cccnc1 |
MW: | 286.11 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 97.12 |
cLogP: | 0.73 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-11
NIM-UNI-bb9030bf-14
0.648
NIM-UNI-bb9030bf-9
0.628
NIM-UNI-bb9030bf-4
0.621
NIM-UNI-bb9030bf-1
0.620
NIM-UNI-bb9030bf-6
0.603
NIM-UNI-bb9030bf-13
0.603
NIM-UNI-bb9030bf-3
0.595
NIM-UNI-bb9030bf-2
0.571
NIM-UNI-bb9030bf-11
0.560
NIM-UNI-bb9030bf-8
0.556
NIM-UNI-bb9030bf-10
0.545
NIM-UNI-bb9030bf-5
0.544
NIM-UNI-bb9030bf-7
0.524
NIM-UNI-bb9030bf-16
0.523
NIM-UNI-bb9030bf-12
0.506
RAL-MED-9a5eb9cb-7
0.494
LON-WEI-adc59df6-28
0.330
RAL-MED-9a5eb9cb-6
0.326
NIM-NMI-8bb27a2b-4
0.323
ERI-UCB-fbdd3ea1-13
0.323
NIM-NMI-8bb27a2b-10
0.320
MAT-POS-3d050446-1
0.319
NIM-NMI-8bb27a2b-13
0.314
RAL-MED-9a5eb9cb-14
0.312
LON-WEI-adc59df6-30
0.312
LON-WEI-adc59df6-3
0.311
LON-WEI-adc59df6-36
0.310
LON-WEI-adc59df6-40
0.310
NIM-NMI-8bb27a2b-11
0.310
ERI-UCB-fbdd3ea1-9
0.310
NIM-NMI-8bb27a2b-2
0.307
NIM-NMI-8bb27a2b-20
0.307
NIM-NMI-8bb27a2b-3
0.306
LON-WEI-adc59df6-17
0.306
NIM-NMI-8bb27a2b-24
0.306
RAL-MED-9a5eb9cb-10
0.304
LON-WEI-adc59df6-20
0.304
ERI-UCB-fbdd3ea1-31
0.304
BRU-LEF-973da26b-1
0.303
NIM-NMI-8bb27a2b-14
0.303
LON-WEI-b8d98729-23
0.302
LON-WEI-adc59df6-21
0.301
NIM-NMI-8bb27a2b-12
0.301
LON-WEI-adc59df6-23
0.301
NIM-NMI-8bb27a2b-5
0.301
NIM-NMI-8bb27a2b-28
0.301
LON-WEI-adc59df6-29
0.299
LON-WEI-adc59df6-31
0.299
MAR-TRE-67513f76-87
0.299
LON-WEI-adc59df6-80
0.298
ERI-UCB-fbdd3ea1-30
0.297
LON-WEI-adc59df6-10
0.297
LON-WEI-d1c9908a-7
0.297
ERI-UCB-fbdd3ea1-7
0.297
RAL-MED-9a5eb9cb-9
0.296
MAK-UNK-ca11b4f7-2
0.296
LON-WEI-adc59df6-72
0.295
LON-WEI-b8d98729-47
0.294
ALP-POS-02c6a514-57
0.294
LON-WEI-adc59df6-87
0.294
LON-WEI-adc59df6-68
0.294
LON-WEI-adc59df6-26
0.293
LON-WEI-adc59df6-74
0.293
JAN-GHE-d851b096-9
0.293
NIM-NMI-8bb27a2b-19
0.293
LON-WEI-8f408cad-10
0.292
LON-WEI-b8d98729-27
0.291
ERI-UCB-fbdd3ea1-6
0.291
LON-WEI-b8d98729-12
0.291
RIT-AID-af4ac3d4-1
0.291
LON-WEI-8f408cad-8
0.290
NIM-NMI-8bb27a2b-16
0.290
RAL-MED-9a5eb9cb-8
0.290
LON-WEI-b8d98729-32
0.289
LON-WEI-b8d98729-35
0.288
NIR-WEI-f9286bb6-3
0.287
BRU-LEF-e1854a6f-1
0.287
LON-WEI-adc59df6-27
0.287
LON-WEI-adc59df6-41
0.287
LON-WEI-adc59df6-43
0.287
NIM-NMI-8bb27a2b-27
0.287
LON-WEI-adc59df6-4
0.287
MAK-UNK-2c1752f0-2
0.286
LON-WEI-b8d98729-33
0.286
LON-WEI-d1c9908a-5
0.286
LON-WEI-adc59df6-82
0.286
ERI-UCB-fbdd3ea1-5
0.286
NIM-NMI-8bb27a2b-25
0.286
LON-WEI-b8d98729-11
0.286
LON-WEI-b8d98729-14
0.286
LON-WEI-adc59df6-37
0.286
LON-WEI-adc59df6-73
0.286
NIM-NMI-8bb27a2b-1
0.286
ALP-POS-88a7a97e-4
0.286
LON-WEI-babf2c61-10
0.284
JAN-GHE-d851b096-4
0.284
LON-WEI-b8d98729-24
0.284
LON-WEI-adc59df6-78
0.284
LON-WEI-adc59df6-81
0.284
LON-WEI-adc59df6-13
0.283