Molecular Properties | |
SMILES: | C=CC(=O)N(C1CCC(C)NC1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 358.486 |
Fraction sp3: | 0.55 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 74.33 |
cLogP: | 2.1925 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-18
0.646
ERI-UCB-fbdd3ea1-19
0.642
ERI-UCB-fbdd3ea1-22
0.639
LON-WEI-adc59df6-75
0.639
ERI-UCB-fbdd3ea1-21
0.631
LON-WEI-adc59df6-67
0.628
LON-WEI-adc59df6-97
0.619
LON-WEI-adc59df6-94
0.616
LON-WEI-adc59df6-89
0.609
LON-WEI-adc59df6-92
0.596
ERI-UCB-fbdd3ea1-20
0.591
ERI-UCB-fbdd3ea1-23
0.589
LON-WEI-adc59df6-98
0.571
LON-WEI-adc59df6-93
0.570
LON-WEI-adc59df6-96
0.570
LON-WEI-adc59df6-99
0.545
LON-WEI-adc59df6-69
0.545
LON-WEI-adc59df6-71
0.544
LON-WEI-adc59df6-62
0.544
LON-WEI-adc59df6-63
0.544
LON-WEI-adc59df6-64
0.533
LON-WEI-adc59df6-90
0.510
LON-WEI-adc59df6-85
0.484
RAL-MED-9a5eb9cb-12
0.478
ERI-UCB-fbdd3ea1-4
0.478
LON-WEI-adc59df6-70
0.478
LON-WEI-adc59df6-72
0.478
LON-WEI-8f408cad-8
0.477
LON-WEI-adc59df6-83
0.469
LON-WEI-adc59df6-95
0.468
LON-WEI-d1c9908a-1
0.467
LON-WEI-adc59df6-80
0.467
LON-WEI-adc59df6-73
0.462
LON-WEI-b8d98729-6
0.462
LON-WEI-b8d98729-7
0.462
ERI-UCB-fbdd3ea1-31
0.459
LON-WEI-adc59df6-101
0.457
ERI-UCB-fbdd3ea1-30
0.454
LON-WEI-8f408cad-9
0.453
LON-WEI-adc59df6-79
0.453
LON-WEI-b8d98729-23
0.452
LON-WEI-b8d98729-32
0.452
JAN-GHE-d851b096-8
0.452
LON-WEI-adc59df6-81
0.451
LON-WEI-adc59df6-68
0.449
RAL-MED-9a5eb9cb-8
0.448
LON-WEI-b8d98729-10
0.447
LON-WEI-adc59df6-82
0.447
LON-WEI-adc59df6-91
0.442
ERI-UCB-fbdd3ea1-13
0.442
ERI-UCB-fbdd3ea1-15
0.442
NIR-WEI-f9286bb6-2
0.441
LON-WEI-adc59df6-74
0.438
LON-WEI-adc59df6-88
0.437
ERI-UCB-fbdd3ea1-11
0.436
LON-WEI-adc59df6-76
0.434
LON-WEI-adc59df6-103
0.433
ERI-UCB-fbdd3ea1-17
0.433
LON-WEI-adc59df6-100
0.430
ERI-UCB-fbdd3ea1-16
0.429
LON-WEI-adc59df6-84
0.429
LON-WEI-adc59df6-78
0.424
LON-WEI-adc59df6-87
0.420
ERI-UCB-fbdd3ea1-12
0.418
LON-WEI-adc59df6-65
0.416
LON-WEI-adc59df6-104
0.416
LON-WEI-b8d98729-31
0.412
LON-WEI-adc59df6-66
0.408
LON-WEI-adc59df6-77
0.406
LON-WEI-adc59df6-102
0.406
ERI-UCB-fbdd3ea1-14
0.396
LON-WEI-adc59df6-44
0.396
NIM-NMI-8bb27a2b-3
0.394
LON-WEI-adc59df6-14
0.388
LON-WEI-adc59df6-8
0.386
ERI-UCB-fbdd3ea1-7
0.382
NIM-NMI-8bb27a2b-1
0.381
ERI-UCB-fbdd3ea1-5
0.381
LON-WEI-adc59df6-35
0.380
LON-WEI-adc59df6-21
0.379
NIM-NMI-8bb27a2b-17
0.378
LON-WEI-adc59df6-3
0.376
ERI-UCB-fbdd3ea1-6
0.375
ERI-UCB-fbdd3ea1-33
0.371
NIM-NMI-8bb27a2b-15
0.369
RAL-MED-9a5eb9cb-10
0.368
LON-WEI-adc59df6-39
0.365
DAR-DIA-2b784ede-44
0.365
RAL-MED-9a5eb9cb-15
0.363
RAL-MED-9a5eb9cb-14
0.361
LON-WEI-adc59df6-30
0.361
ALP-POS-c59291d4-6
0.360
LON-WEI-adc59df6-31
0.360
LON-WEI-adc59df6-27
0.359
ERI-UCB-fbdd3ea1-8
0.358
LON-WEI-adc59df6-10
0.356
ALP-POS-88a7a97e-18
0.353
NIM-NMI-8bb27a2b-2
0.352
JAN-GHE-d851b096-7
0.352
ERI-UCB-fbdd3ea1-32
0.352