Molecular Properties | |
SMILES: | C=CC(=O)N(C1CCN(C2CC2)CC1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 384.25 |
Fraction sp3: | 0.59 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 65.54 |
cLogP: | 2.68 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-18
0.763
ERI-UCB-fbdd3ea1-22
0.753
ERI-UCB-fbdd3ea1-23
0.711
ERI-UCB-fbdd3ea1-19
0.671
LON-WEI-adc59df6-94
0.663
LON-WEI-adc59df6-67
0.655
LON-WEI-adc59df6-86
0.631
LON-WEI-adc59df6-75
0.627
LON-WEI-adc59df6-97
0.627
ERI-UCB-fbdd3ea1-20
0.616
LON-WEI-adc59df6-92
0.602
LON-WEI-adc59df6-89
0.598
LON-WEI-adc59df6-96
0.595
LON-WEI-adc59df6-98
0.578
LON-WEI-adc59df6-69
0.570
LON-WEI-adc59df6-99
0.570
LON-WEI-adc59df6-93
0.558
LON-WEI-adc59df6-64
0.556
LON-WEI-adc59df6-62
0.551
LON-WEI-adc59df6-63
0.551
LON-WEI-adc59df6-71
0.551
LON-WEI-adc59df6-85
0.522
LON-WEI-adc59df6-70
0.500
LON-WEI-adc59df6-72
0.500
LON-WEI-adc59df6-90
0.500
LON-WEI-adc59df6-95
0.489
RAL-MED-9a5eb9cb-8
0.484
ERI-UCB-fbdd3ea1-4
0.483
RAL-MED-9a5eb9cb-12
0.483
LON-WEI-8f408cad-8
0.483
LON-WEI-adc59df6-83
0.474
LON-WEI-8f408cad-9
0.473
LON-WEI-adc59df6-79
0.473
LON-WEI-d1c9908a-1
0.473
JAN-GHE-d851b096-8
0.473
LON-WEI-adc59df6-80
0.472
LON-WEI-adc59df6-73
0.467
LON-WEI-b8d98729-6
0.467
LON-WEI-b8d98729-7
0.467
LON-WEI-adc59df6-104
0.464
ERI-UCB-fbdd3ea1-15
0.462
ERI-UCB-fbdd3ea1-30
0.458
LON-WEI-b8d98729-32
0.457
ERI-UCB-fbdd3ea1-11
0.457
LON-WEI-adc59df6-81
0.456
LON-WEI-adc59df6-68
0.454
LON-WEI-adc59df6-76
0.454
ERI-UCB-fbdd3ea1-17
0.453
LON-WEI-adc59df6-103
0.453
LON-WEI-b8d98729-10
0.452
LON-WEI-adc59df6-82
0.452
ERI-UCB-fbdd3ea1-31
0.449
LON-WEI-adc59df6-84
0.448
LON-WEI-adc59df6-91
0.447
LON-WEI-adc59df6-101
0.447
ERI-UCB-fbdd3ea1-13
0.447
NIR-WEI-f9286bb6-2
0.446
LON-WEI-adc59df6-74
0.442
LON-WEI-b8d98729-23
0.441
ERI-UCB-fbdd3ea1-12
0.438
LON-WEI-adc59df6-102
0.437
LON-WEI-adc59df6-100
0.434
ERI-UCB-fbdd3ea1-16
0.433
LON-WEI-b8d98729-31
0.430
LON-WEI-adc59df6-78
0.429
LON-WEI-adc59df6-88
0.427
LON-WEI-adc59df6-87
0.424
LON-WEI-adc59df6-77
0.423
LON-WEI-adc59df6-65
0.420
LON-WEI-adc59df6-66
0.412
ERI-UCB-fbdd3ea1-14
0.400
LON-WEI-adc59df6-44
0.400
LON-WEI-adc59df6-14
0.392
ALP-POS-88a7a97e-18
0.384
LON-WEI-adc59df6-35
0.384
NIM-NMI-8bb27a2b-3
0.384
LON-WEI-adc59df6-21
0.383
NIM-NMI-8bb27a2b-17
0.381
LON-WEI-adc59df6-3
0.380
RAL-MED-9a5eb9cb-14
0.379
LON-WEI-adc59df6-30
0.379
LON-WEI-adc59df6-31
0.378
LON-WEI-adc59df6-8
0.376
ERI-UCB-fbdd3ea1-8
0.374
ERI-UCB-fbdd3ea1-7
0.373
RAL-MED-9a5eb9cb-10
0.372
LON-WEI-adc59df6-39
0.369
RAL-MED-9a5eb9cb-15
0.366
RAL-MED-9a5eb9cb-6
0.366
ERI-UCB-fbdd3ea1-6
0.365
LON-WEI-adc59df6-29
0.364
ALP-POS-c59291d4-6
0.364
LON-WEI-adc59df6-27
0.363
ERI-UCB-fbdd3ea1-33
0.361
NIM-NMI-8bb27a2b-15
0.359
LON-WEI-adc59df6-10
0.359
LON-WEI-adc59df6-22
0.358
NIM-NMI-8bb27a2b-1
0.358
ERI-UCB-fbdd3ea1-5
0.358
LON-WEI-adc59df6-17
0.356