Molecular Properties | |
SMILES: | C=CC(=O)NC(C(=O)NCc1cncs1)c1cccnc1 |
MW: | 302.08 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 83.98 |
cLogP: | 1.2 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-11
NIM-UNI-bb9030bf-4
0.656
NIM-UNI-bb9030bf-15
0.648
NIM-UNI-bb9030bf-6
0.636
NIM-UNI-bb9030bf-1
0.629
NIM-UNI-bb9030bf-13
0.611
NIM-UNI-bb9030bf-3
0.603
NIM-UNI-bb9030bf-2
0.579
NIM-UNI-bb9030bf-9
0.575
NIM-UNI-bb9030bf-5
0.552
NIM-UNI-bb9030bf-12
0.551
NIM-UNI-bb9030bf-11
0.547
NIM-UNI-bb9030bf-8
0.543
NIM-UNI-bb9030bf-10
0.532
NIM-UNI-bb9030bf-16
0.531
NIM-UNI-bb9030bf-7
0.530
RAL-MED-9a5eb9cb-7
0.481
LON-WEI-adc59df6-28
0.333
NIM-NMI-8bb27a2b-12
0.317
LON-WEI-adc59df6-30
0.315
RAL-MED-9a5eb9cb-6
0.315
NIM-NMI-8bb27a2b-4
0.313
NIM-NMI-8bb27a2b-10
0.311
NIM-NMI-8bb27a2b-2
0.310
NIM-NMI-8bb27a2b-13
0.305
LON-WEI-adc59df6-31
0.302
LON-WEI-adc59df6-73
0.302
RAL-MED-9a5eb9cb-14
0.301
ALP-POS-88a7a97e-4
0.301
LON-WEI-adc59df6-3
0.300
LON-WEI-adc59df6-36
0.300
ERI-UCB-fbdd3ea1-9
0.300
LON-WEI-adc59df6-40
0.300
NIM-NMI-8bb27a2b-11
0.300
MAK-UNK-ca11b4f7-2
0.300
NIM-NMI-8bb27a2b-20
0.297
NIM-NMI-8bb27a2b-18
0.297
LON-WEI-adc59df6-17
0.296
NIM-NMI-8bb27a2b-24
0.296
LON-WEI-adc59df6-20
0.294
MAK-UNK-d1e89583-9
0.294
NIM-NMI-8bb27a2b-14
0.294
MAT-POS-3d050446-1
0.293
RAL-MED-9a5eb9cb-10
0.293
NIM-NMI-8bb27a2b-16
0.293
LON-WEI-b8d98729-23
0.292
LON-WEI-adc59df6-2
0.291
LON-WEI-adc59df6-23
0.291
NIM-NMI-8bb27a2b-5
0.291
NIM-NMI-8bb27a2b-28
0.291
LON-WEI-adc59df6-21
0.290
NIR-WEI-f9286bb6-3
0.290
MAK-UNK-2c1752f0-2
0.290
LON-WEI-adc59df6-29
0.289
LON-WEI-adc59df6-80
0.287
LON-WEI-adc59df6-81
0.287
LON-WEI-adc59df6-10
0.287
LON-WEI-adc59df6-7
0.286
ERI-UCB-fbdd3ea1-13
0.286
LON-WEI-b8d98729-15
0.284
ALP-POS-02c6a514-57
0.284
LON-WEI-adc59df6-72
0.284
NIM-NMI-8bb27a2b-3
0.283
NIM-NMI-8bb27a2b-19
0.283
LON-WEI-adc59df6-26
0.283
ERI-UCB-fbdd3ea1-31
0.282
NIR-WEI-f9286bb6-2
0.281
LON-WEI-adc59df6-71
0.280
BRU-LEF-973da26b-1
0.280
ERI-UCB-fbdd3ea1-12
0.280
RAL-MED-9a5eb9cb-8
0.280
LON-WEI-adc59df6-63
0.280
LON-WEI-adc59df6-103
0.280
LON-WEI-adc59df6-62
0.280
LON-WEI-8f408cad-8
0.280
LON-WEI-b8d98729-25
0.279
LON-WEI-b8d98729-35
0.279
LON-WEI-b8d98729-31
0.279
LON-WEI-adc59df6-96
0.278
LON-WEI-adc59df6-93
0.278
LON-WEI-b8d98729-38
0.278
LON-WEI-b8d98729-46
0.278
NIM-NMI-8bb27a2b-27
0.278
LON-WEI-b8d98729-9
0.278
LON-WEI-adc59df6-27
0.277
LON-WEI-adc59df6-89
0.277
BRU-LEF-e1854a6f-1
0.277
ERI-UCB-fbdd3ea1-16
0.277
BAR-COM-4e090d3a-58
0.277
LON-WEI-adc59df6-66
0.276
LON-WEI-b8d98729-33
0.276
LON-WEI-adc59df6-75
0.276
LON-WEI-adc59df6-69
0.276
LON-WEI-adc59df6-82
0.276
ALP-POS-88a7a97e-1
0.276
LON-WEI-babf2c61-10
0.275
AHN-SAT-02ef6d10-6
0.275
LON-WEI-adc59df6-78
0.275
LON-WEI-d1c9908a-7
0.275
ERI-UCB-fbdd3ea1-7
0.275
ERI-UCB-fbdd3ea1-30
0.275