Molecular Properties | |
SMILES: | C=CC(=O)N(C1CCC2(CCCC2)C1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 383.536 |
Fraction sp3: | 0.61 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 62.3 |
cLogP: | 4.1649 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-480-407 |
Order Status | |
Shipped: | 2020-05-20 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-94
0.765
ERI-UCB-fbdd3ea1-20
0.655
ERI-UCB-fbdd3ea1-23
0.652
LON-WEI-adc59df6-89
0.636
ERI-UCB-fbdd3ea1-18
0.635
ERI-UCB-fbdd3ea1-19
0.631
ERI-UCB-fbdd3ea1-22
0.609
ERI-UCB-fbdd3ea1-21
0.602
LON-WEI-adc59df6-67
0.600
LON-WEI-adc59df6-86
0.596
LON-WEI-adc59df6-75
0.591
LON-WEI-adc59df6-97
0.591
LON-WEI-adc59df6-99
0.556
LON-WEI-adc59df6-98
0.547
LON-WEI-adc59df6-96
0.544
LON-WEI-adc59df6-93
0.527
LON-WEI-adc59df6-64
0.526
LON-WEI-adc59df6-69
0.522
LON-WEI-adc59df6-71
0.505
LON-WEI-adc59df6-62
0.505
LON-WEI-adc59df6-63
0.505
LON-WEI-adc59df6-90
0.505
LON-WEI-d1c9908a-1
0.479
LON-WEI-adc59df6-72
0.473
RAL-MED-9a5eb9cb-8
0.459
RAL-MED-9a5eb9cb-12
0.457
ERI-UCB-fbdd3ea1-4
0.457
LON-WEI-8f408cad-8
0.457
ERI-UCB-fbdd3ea1-31
0.455
LON-WEI-adc59df6-83
0.451
LON-WEI-adc59df6-85
0.450
LON-WEI-adc59df6-95
0.449
JAN-GHE-d851b096-8
0.448
LON-WEI-adc59df6-80
0.447
LON-WEI-adc59df6-81
0.447
LON-WEI-adc59df6-76
0.446
LON-WEI-adc59df6-70
0.442
LON-WEI-b8d98729-6
0.442
LON-WEI-b8d98729-7
0.442
LON-WEI-adc59df6-101
0.439
ERI-UCB-fbdd3ea1-30
0.436
LON-WEI-adc59df6-74
0.434
LON-WEI-adc59df6-79
0.434
LON-WEI-b8d98729-32
0.433
LON-WEI-adc59df6-82
0.429
LON-WEI-b8d98729-10
0.429
LON-WEI-adc59df6-73
0.429
LON-WEI-adc59df6-65
0.427
LON-WEI-adc59df6-91
0.424
ERI-UCB-fbdd3ea1-15
0.424
NIR-WEI-f9286bb6-2
0.423
LON-WEI-8f408cad-9
0.420
BRU-THA-92256091-36
0.419
LON-WEI-b8d98729-23
0.418
ERI-UCB-fbdd3ea1-11
0.418
LON-WEI-adc59df6-68
0.417
LON-WEI-adc59df6-102
0.417
ERI-UCB-fbdd3ea1-17
0.416
LON-WEI-adc59df6-103
0.416
DAR-DIA-2b784ede-44
0.412
LON-WEI-adc59df6-84
0.412
ERI-UCB-fbdd3ea1-16
0.412
ERI-UCB-fbdd3ea1-13
0.410
LON-WEI-adc59df6-78
0.408
LON-WEI-adc59df6-88
0.407
LON-WEI-adc59df6-87
0.404
ERI-UCB-fbdd3ea1-12
0.402
BRU-THA-92256091-34
0.402
LON-WEI-adc59df6-100
0.400
LON-WEI-adc59df6-104
0.400
LON-WEI-b8d98729-31
0.396
LON-WEI-adc59df6-66
0.393
LON-WEI-adc59df6-14
0.386
LON-WEI-adc59df6-44
0.380
LON-WEI-adc59df6-35
0.379
LON-WEI-adc59df6-77
0.378
LON-WEI-adc59df6-21
0.378
LON-WEI-adc59df6-3
0.375
ALP-POS-e980f4ea-61
0.375
BRU-THA-92256091-56
0.373
LON-WEI-adc59df6-8
0.371
ERI-UCB-fbdd3ea1-14
0.369
ERI-UCB-fbdd3ea1-7
0.368
RAL-MED-9a5eb9cb-10
0.367
BRU-THA-92256091-46
0.366
NIM-NMI-8bb27a2b-3
0.365
NIM-NMI-8bb27a2b-17
0.363
RAL-MED-9a5eb9cb-15
0.362
ERI-UCB-fbdd3ea1-6
0.361
NIM-NMI-8bb27a2b-15
0.355
NIM-NMI-8bb27a2b-1
0.355
ERI-UCB-fbdd3ea1-5
0.355
ALP-POS-ced8ea4d-61
0.352
LON-WEI-adc59df6-39
0.352
NIR-WEI-f9286bb6-3
0.350
LON-WEI-adc59df6-32
0.348
LON-WEI-adc59df6-30
0.347
RAL-MED-9a5eb9cb-14
0.347
LON-WEI-adc59df6-31
0.346
ALP-POS-c59291d4-6
0.346