Molecular Properties | |
SMILES: | C=CC(=O)N(C1CC(CSC)C1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 375.538 |
Fraction sp3: | 0.55 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 62.3 |
cLogP: | 3.1936 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-97
0.696
ERI-UCB-fbdd3ea1-19
0.658
ERI-UCB-fbdd3ea1-18
0.642
LON-WEI-adc59df6-98
0.640
LON-WEI-adc59df6-86
0.639
ERI-UCB-fbdd3ea1-22
0.634
ERI-UCB-fbdd3ea1-21
0.627
ERI-UCB-fbdd3ea1-20
0.624
LON-WEI-adc59df6-94
0.612
LON-WEI-adc59df6-89
0.605
LON-WEI-adc59df6-67
0.605
LON-WEI-adc59df6-69
0.595
LON-WEI-adc59df6-92
0.591
ERI-UCB-fbdd3ea1-23
0.584
LON-WEI-adc59df6-93
0.583
LON-WEI-adc59df6-99
0.576
LON-WEI-adc59df6-96
0.565
LON-WEI-adc59df6-71
0.557
LON-WEI-adc59df6-62
0.557
LON-WEI-adc59df6-63
0.557
LON-WEI-adc59df6-64
0.544
LON-WEI-adc59df6-72
0.523
LON-WEI-adc59df6-90
0.521
LON-WEI-b8d98729-6
0.506
RAL-MED-9a5eb9cb-12
0.506
ERI-UCB-fbdd3ea1-4
0.506
LON-WEI-8f408cad-8
0.488
ERI-UCB-fbdd3ea1-15
0.484
NIR-WEI-f9286bb6-2
0.483
LON-WEI-adc59df6-85
0.479
LON-WEI-d1c9908a-1
0.478
JAN-GHE-d851b096-8
0.478
LON-WEI-adc59df6-80
0.477
LON-WEI-adc59df6-76
0.474
LON-WEI-adc59df6-73
0.473
LON-WEI-adc59df6-70
0.472
LON-WEI-b8d98729-7
0.472
ERI-UCB-fbdd3ea1-31
0.469
ERI-UCB-fbdd3ea1-16
0.468
LON-WEI-adc59df6-91
0.467
LON-WEI-adc59df6-83
0.464
LON-WEI-adc59df6-78
0.463
LON-WEI-8f408cad-9
0.462
LON-WEI-adc59df6-74
0.462
LON-WEI-adc59df6-95
0.462
LON-WEI-adc59df6-79
0.462
LON-WEI-b8d98729-32
0.462
LON-WEI-adc59df6-81
0.461
ERI-UCB-fbdd3ea1-17
0.457
ERI-UCB-fbdd3ea1-12
0.457
LON-WEI-adc59df6-82
0.457
LON-WEI-b8d98729-10
0.457
LON-WEI-adc59df6-101
0.452
ERI-UCB-fbdd3ea1-30
0.448
LON-WEI-b8d98729-23
0.446
ERI-UCB-fbdd3ea1-11
0.446
LON-WEI-adc59df6-68
0.443
LON-WEI-adc59df6-87
0.443
RAL-MED-9a5eb9cb-8
0.442
LON-WEI-adc59df6-103
0.442
LON-WEI-adc59df6-84
0.438
ERI-UCB-fbdd3ea1-13
0.436
LON-WEI-adc59df6-66
0.430
LON-WEI-adc59df6-100
0.424
LON-WEI-adc59df6-104
0.424
LON-WEI-adc59df6-65
0.424
LON-WEI-b8d98729-31
0.420
LON-WEI-adc59df6-10
0.418
LON-WEI-adc59df6-88
0.417
ERI-UCB-fbdd3ea1-14
0.417
LON-WEI-adc59df6-102
0.413
LON-WEI-adc59df6-17
0.402
LON-WEI-adc59df6-77
0.400
LON-WEI-adc59df6-31
0.396
RAL-MED-9a5eb9cb-10
0.391
LON-WEI-adc59df6-44
0.389
LON-WEI-adc59df6-21
0.387
NIR-WEI-f9286bb6-3
0.387
NIM-NMI-8bb27a2b-17
0.385
LON-WEI-adc59df6-3
0.385
NIM-NMI-8bb27a2b-16
0.384
LON-WEI-adc59df6-30
0.383
RAL-MED-9a5eb9cb-14
0.383
LON-WEI-adc59df6-20
0.382
LON-WEI-adc59df6-14
0.381
LON-WEI-adc59df6-27
0.380
NIM-NMI-8bb27a2b-28
0.379
LON-WEI-adc59df6-36
0.376
LON-WEI-adc59df6-40
0.376
NIM-NMI-8bb27a2b-24
0.374
LON-WEI-adc59df6-35
0.374
NIM-NMI-8bb27a2b-3
0.374
NIM-NMI-8bb27a2b-19
0.374
NIM-NMI-8bb27a2b-23
0.373
NIM-NMI-8bb27a2b-20
0.373
RAL-MED-9a5eb9cb-15
0.370
LON-WEI-adc59df6-1
0.369
LON-WEI-adc59df6-19
0.368
LON-WEI-adc59df6-29
0.367
ALP-POS-c59291d4-6
0.367