Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(CC)c(I)c1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 491.373 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 4.4236 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-06-10 |
iodine
Filter9_metal
aryl iodide
unacceptable atoms
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-79
0.722
LON-WEI-8f408cad-9
0.679
JAN-GHE-d851b096-8
0.662
LON-WEI-8f408cad-8
0.662
LON-WEI-adc59df6-80
0.646
LON-WEI-b8d98729-32
0.642
LON-WEI-b8d98729-6
0.637
LON-WEI-b8d98729-7
0.637
ERI-UCB-fbdd3ea1-4
0.637
RAL-MED-9a5eb9cb-12
0.637
LON-WEI-adc59df6-103
0.631
LON-WEI-adc59df6-68
0.628
LON-WEI-adc59df6-91
0.627
LON-WEI-adc59df6-101
0.627
LON-WEI-d1c9908a-1
0.622
LON-WEI-adc59df6-104
0.621
LON-WEI-adc59df6-74
0.619
LON-WEI-adc59df6-70
0.617
LON-WEI-b8d98729-10
0.614
LON-WEI-adc59df6-82
0.614
LON-WEI-b8d98729-31
0.614
LON-WEI-adc59df6-100
0.602
LON-WEI-adc59df6-95
0.600
LON-WEI-adc59df6-78
0.598
LON-WEI-adc59df6-87
0.591
LON-WEI-adc59df6-88
0.587
LON-WEI-adc59df6-84
0.586
LON-WEI-adc59df6-102
0.581
ERI-UCB-fbdd3ea1-16
0.568
LON-WEI-adc59df6-65
0.567
LON-WEI-adc59df6-81
0.566
LON-WEI-b8d98729-23
0.565
LON-WEI-adc59df6-85
0.562
LON-WEI-adc59df6-83
0.560
ERI-UCB-fbdd3ea1-12
0.557
ERI-UCB-fbdd3ea1-15
0.552
ERI-UCB-fbdd3ea1-11
0.547
ERI-UCB-fbdd3ea1-13
0.534
ERI-UCB-fbdd3ea1-31
0.533
LON-WEI-adc59df6-30
0.529
LON-WEI-adc59df6-31
0.523
ERI-UCB-fbdd3ea1-17
0.522
LON-WEI-adc59df6-3
0.518
ERI-UCB-fbdd3ea1-30
0.511
LON-WEI-adc59df6-72
0.506
ERI-UCB-fbdd3ea1-14
0.505
LON-WEI-adc59df6-21
0.500
LON-WEI-d1c9908a-10
0.490
LON-WEI-adc59df6-69
0.489
LON-WEI-adc59df6-29
0.489
ALP-POS-c59291d4-6
0.489
RAL-MED-9a5eb9cb-10
0.488
LON-WEI-b8d98729-42
0.485
LON-WEI-adc59df6-44
0.483
NIR-WEI-f9286bb6-2
0.483
LON-WEI-adc59df6-2
0.479
LON-WEI-adc59df6-17
0.478
LON-WEI-adc59df6-26
0.478
LON-WEI-adc59df6-35
0.478
NIM-NMI-8bb27a2b-24
0.478
LON-WEI-adc59df6-33
0.474
NIM-NMI-8bb27a2b-18
0.474
LON-WEI-adc59df6-28
0.473
NIM-NMI-8bb27a2b-16
0.473
LON-WEI-adc59df6-75
0.473
LON-WEI-adc59df6-14
0.473
ERI-UCB-fbdd3ea1-19
0.472
LON-WEI-b8d98729-16
0.471
LON-WEI-adc59df6-77
0.470
LON-WEI-adc59df6-7
0.469
LON-WEI-adc59df6-27
0.468
LON-WEI-adc59df6-41
0.468
ERI-UCB-fbdd3ea1-21
0.467
LON-WEI-b8d98729-18
0.465
LON-WEI-b8d98729-29
0.465
LON-WEI-b8d98729-39
0.465
LON-WEI-adc59df6-47
0.465
ERI-UCB-fbdd3ea1-1
0.465
PAU-WEI-5b8d5051-1
0.465
LON-POS-586a7c45-1
0.465
ERI-UCB-fbdd3ea1-2
0.465
LON-WEI-b8d98729-35
0.464
LON-WEI-adc59df6-10
0.463
LON-WEI-adc59df6-36
0.463
LON-WEI-adc59df6-40
0.463
LON-WEI-adc59df6-42
0.462
NIM-NMI-8bb27a2b-19
0.462
LON-WEI-adc59df6-86
0.462
LON-WEI-adc59df6-93
0.462
LON-WEI-adc59df6-96
0.462
ERI-UCB-fbdd3ea1-18
0.462
LON-WEI-b8d98729-14
0.459
LON-WEI-b8d98729-33
0.459
LON-WEI-b8d98729-11
0.459
LON-WEI-d1c9908a-12
0.459
RIT-AID-a497c99f-1
0.459
LON-WEI-adc59df6-76
0.458
NIM-NMI-8bb27a2b-23
0.458
LON-WEI-adc59df6-62
0.457
LON-WEI-adc59df6-71
0.457