Molecular Properties | |
SMILES: | C=CC(=O)N(C1COC2(CCC2)C1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 371.481 |
Fraction sp3: | 0.57 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 71.53 |
cLogP: | 2.7636 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-05-20 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-20
0.651
ERI-UCB-fbdd3ea1-19
0.646
LON-WEI-adc59df6-94
0.640
LON-WEI-adc59df6-92
0.636
LON-WEI-adc59df6-67
0.632
ERI-UCB-fbdd3ea1-18
0.631
ERI-UCB-fbdd3ea1-23
0.629
LON-WEI-adc59df6-86
0.609
ERI-UCB-fbdd3ea1-22
0.605
LON-WEI-adc59df6-75
0.605
LON-WEI-adc59df6-97
0.605
ERI-UCB-fbdd3ea1-21
0.598
LON-WEI-adc59df6-98
0.576
LON-WEI-adc59df6-99
0.568
LON-WEI-adc59df6-96
0.557
LON-WEI-adc59df6-93
0.557
LON-WEI-adc59df6-69
0.551
LON-WEI-adc59df6-71
0.533
LON-WEI-adc59df6-62
0.533
LON-WEI-adc59df6-63
0.533
LON-WEI-adc59df6-64
0.521
LON-WEI-adc59df6-76
0.500
LON-WEI-d1c9908a-1
0.489
LON-WEI-adc59df6-90
0.485
LON-WEI-adc59df6-83
0.475
LON-WEI-adc59df6-95
0.474
ERI-UCB-fbdd3ea1-4
0.467
RAL-MED-9a5eb9cb-12
0.467
LON-WEI-adc59df6-72
0.467
LON-WEI-8f408cad-8
0.467
ERI-UCB-fbdd3ea1-31
0.465
LON-WEI-adc59df6-80
0.457
RAL-MED-9a5eb9cb-8
0.454
LON-WEI-b8d98729-6
0.452
LON-WEI-b8d98729-7
0.452
LON-WEI-adc59df6-70
0.452
ERI-UCB-fbdd3ea1-30
0.444
LON-WEI-adc59df6-85
0.444
ALP-POS-e980f4ea-57
0.443
LON-WEI-adc59df6-79
0.443
LON-WEI-8f408cad-9
0.443
JAN-GHE-d851b096-8
0.442
LON-WEI-b8d98729-23
0.442
LON-WEI-b8d98729-32
0.442
LON-WEI-adc59df6-81
0.441
LON-WEI-adc59df6-103
0.439
LON-WEI-b8d98729-10
0.438
LON-WEI-adc59df6-73
0.438
LON-WEI-adc59df6-82
0.438
LON-WEI-adc59df6-100
0.436
BRU-THA-92256091-40
0.435
LON-WEI-adc59df6-91
0.433
LON-WEI-adc59df6-101
0.433
ERI-UCB-fbdd3ea1-15
0.433
NIR-WEI-f9286bb6-2
0.432
LON-WEI-adc59df6-74
0.429
ERI-UCB-fbdd3ea1-11
0.427
LON-WEI-adc59df6-68
0.426
ERI-UCB-fbdd3ea1-17
0.424
LON-WEI-adc59df6-65
0.422
ERI-UCB-fbdd3ea1-16
0.420
LON-WEI-adc59df6-84
0.420
ERI-UCB-fbdd3ea1-13
0.418
LON-WEI-adc59df6-78
0.416
LON-WEI-adc59df6-88
0.415
ALP-POS-ced8ea4d-57
0.412
LON-WEI-adc59df6-87
0.412
BRU-THA-92256091-48
0.412
LON-WEI-adc59df6-102
0.411
ERI-UCB-fbdd3ea1-12
0.410
LON-WEI-adc59df6-104
0.408
LON-WEI-b8d98729-31
0.404
LON-WEI-adc59df6-66
0.400
LON-WEI-adc59df6-77
0.398
LON-WEI-adc59df6-44
0.388
NIM-NMI-8bb27a2b-3
0.386
LON-WEI-adc59df6-21
0.385
DAR-DIA-2b784ede-44
0.383
RAL-MED-9a5eb9cb-14
0.381
LON-WEI-adc59df6-14
0.380
ERI-UCB-fbdd3ea1-33
0.378
ERI-UCB-fbdd3ea1-14
0.376
ERI-UCB-fbdd3ea1-7
0.375
LON-WEI-adc59df6-35
0.373
NIM-NMI-8bb27a2b-17
0.370
LON-WEI-adc59df6-3
0.368
ERI-UCB-fbdd3ea1-6
0.368
LON-WEI-adc59df6-19
0.367
ALP-POS-c59291d4-6
0.366
LON-WEI-adc59df6-8
0.365
NIM-NMI-8bb27a2b-1
0.361
ERI-UCB-fbdd3ea1-5
0.361
RAL-MED-9a5eb9cb-10
0.361
ALP-POS-88a7a97e-18
0.359
LON-WEI-adc59df6-39
0.358
RAL-MED-9a5eb9cb-15
0.356
LON-WEI-adc59df6-1
0.355
LON-WEI-d1c9908a-11
0.355
LON-WEI-adc59df6-32
0.355
RAL-MED-9a5eb9cb-6
0.354