Molecular Properties | |
SMILES: | C#Cc1cccc(N(C(=O)C=C)C(C(=O)NC(C)(C)C)c2cccnc2)c1 |
MW: | 361.445 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 62.3 |
cLogP: | 3.2379 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-05-20 |
triple bond
Long aliphatic chain
triple_bond
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-74
0.716
JAN-GHE-d851b096-8
0.700
LON-WEI-adc59df6-100
0.655
LON-WEI-adc59df6-79
0.635
LON-WEI-adc59df6-73
0.631
LON-WEI-8f408cad-8
0.617
LON-WEI-8f408cad-9
0.616
LON-WEI-b8d98729-6
0.614
LON-WEI-adc59df6-70
0.614
LON-WEI-adc59df6-87
0.607
LON-WEI-adc59df6-68
0.607
LON-WEI-adc59df6-80
0.602
LON-WEI-adc59df6-88
0.602
LON-WEI-b8d98729-32
0.600
LON-WEI-adc59df6-104
0.600
LON-WEI-adc59df6-78
0.596
LON-WEI-b8d98729-7
0.595
ERI-UCB-fbdd3ea1-4
0.595
RAL-MED-9a5eb9cb-12
0.595
LON-WEI-b8d98729-31
0.593
LON-WEI-adc59df6-82
0.593
LON-WEI-adc59df6-101
0.586
LON-WEI-adc59df6-84
0.584
LON-WEI-adc59df6-65
0.582
LON-WEI-d1c9908a-1
0.581
LON-WEI-adc59df6-102
0.579
LON-WEI-b8d98729-10
0.575
LON-WEI-adc59df6-91
0.568
LON-WEI-adc59df6-95
0.562
LON-WEI-adc59df6-85
0.543
ERI-UCB-fbdd3ea1-13
0.533
LON-WEI-adc59df6-81
0.529
ERI-UCB-fbdd3ea1-11
0.528
LON-WEI-b8d98729-23
0.528
LON-WEI-adc59df6-83
0.526
ERI-UCB-fbdd3ea1-17
0.522
ERI-UCB-fbdd3ea1-15
0.516
ERI-UCB-fbdd3ea1-12
0.505
ERI-UCB-fbdd3ea1-16
0.500
ERI-UCB-fbdd3ea1-30
0.495
LON-WEI-adc59df6-72
0.489
ERI-UCB-fbdd3ea1-31
0.485
LON-WEI-adc59df6-3
0.483
JAN-GHE-d851b096-9
0.479
PAU-WEI-ca14c437-1
0.476
LON-WEI-adc59df6-69
0.473
NIR-WEI-f9286bb6-2
0.467
LON-WEI-adc59df6-21
0.467
LON-WEI-adc59df6-93
0.462
LON-WEI-adc59df6-30
0.462
ERI-UCB-fbdd3ea1-14
0.461
ERI-UCB-fbdd3ea1-19
0.457
LON-WEI-adc59df6-77
0.456
RAL-MED-9a5eb9cb-10
0.456
ERI-UCB-fbdd3ea1-21
0.453
LON-WEI-adc59df6-44
0.452
LON-WEI-adc59df6-26
0.448
LON-WEI-adc59df6-42
0.448
LON-WEI-adc59df6-35
0.448
ERI-UCB-fbdd3ea1-18
0.447
LON-WEI-adc59df6-96
0.447
LON-WEI-adc59df6-28
0.443
LON-WEI-adc59df6-62
0.443
LON-WEI-adc59df6-63
0.443
LON-WEI-adc59df6-71
0.443
LON-WEI-adc59df6-31
0.442
LON-WEI-adc59df6-75
0.442
ERI-UCB-fbdd3ea1-22
0.442
LON-WEI-adc59df6-29
0.442
LON-WEI-adc59df6-97
0.442
LON-WEI-adc59df6-99
0.442
LON-WEI-adc59df6-14
0.442
LON-WEI-adc59df6-60
0.441
LON-WEI-adc59df6-46
0.440
NIM-NMI-8bb27a2b-22
0.439
LON-WEI-adc59df6-41
0.439
LON-WEI-adc59df6-27
0.439
LON-WEI-adc59df6-89
0.439
LON-WEI-adc59df6-5
0.436
LON-WEI-adc59df6-10
0.434
LON-WEI-adc59df6-64
0.434
NIM-NMI-8bb27a2b-24
0.433
LON-WEI-adc59df6-17
0.433
LON-WEI-adc59df6-86
0.433
LON-WEI-adc59df6-24
0.433
LON-WEI-adc59df6-90
0.433
LON-WEI-adc59df6-9
0.431
LON-WEI-adc59df6-12
0.431
LON-WEI-adc59df6-15
0.431
NIM-NMI-8bb27a2b-16
0.429
LON-WEI-adc59df6-45
0.429
LON-WEI-adc59df6-94
0.429
ALP-POS-c59291d4-6
0.427
RIT-AID-a497c99f-1
0.427
LON-WEI-adc59df6-1
0.426
LON-WEI-adc59df6-18
0.426
LON-WEI-adc59df6-98
0.426
ERI-UCB-fbdd3ea1-33
0.426
LON-WEI-adc59df6-67
0.424
ERI-UCB-fbdd3ea1-20
0.424