Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)OC)cc1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 395.503 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 3.964 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6304819183 |
Order Status | |
Shipped: | 2020-04-09 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-80
0.757
LON-WEI-8f408cad-8
0.730
LON-WEI-b8d98729-6
0.701
ERI-UCB-fbdd3ea1-4
0.701
RAL-MED-9a5eb9cb-12
0.701
LON-WEI-b8d98729-7
0.701
LON-WEI-d1c9908a-1
0.684
LON-WEI-adc59df6-95
0.679
LON-WEI-adc59df6-82
0.675
LON-WEI-b8d98729-19
0.671
LON-WEI-b8d98729-22
0.671
LON-WEI-adc59df6-91
0.667
LON-WEI-adc59df6-87
0.647
LON-WEI-b8d98729-32
0.642
LON-WEI-adc59df6-78
0.635
LON-WEI-b8d98729-8
0.633
LON-WEI-b8d98729-45
0.633
LON-WEI-b8d98729-17
0.620
LON-WEI-adc59df6-70
0.617
LON-WEI-adc59df6-73
0.614
LON-WEI-adc59df6-83
0.614
LON-WEI-adc59df6-84
0.605
JAN-GHE-d851b096-8
0.602
LON-WEI-adc59df6-79
0.600
LON-WEI-8f408cad-9
0.600
LON-WEI-adc59df6-101
0.588
LON-WEI-adc59df6-65
0.584
LON-WEI-adc59df6-74
0.581
LON-WEI-adc59df6-3
0.575
LON-WEI-adc59df6-103
0.575
LON-WEI-adc59df6-21
0.573
LON-WEI-adc59df6-68
0.573
LON-WEI-adc59df6-104
0.567
LON-WEI-adc59df6-81
0.566
LON-WEI-adc59df6-85
0.562
LON-WEI-b8d98729-31
0.560
LON-WEI-adc59df6-88
0.553
LON-WEI-adc59df6-100
0.549
LON-WEI-adc59df6-30
0.548
LON-WEI-adc59df6-26
0.545
RAL-MED-9a5eb9cb-10
0.542
LON-WEI-adc59df6-31
0.540
LON-WEI-adc59df6-44
0.535
ERI-UCB-fbdd3ea1-13
0.534
LON-WEI-adc59df6-27
0.533
LON-WEI-adc59df6-7
0.532
LON-WEI-adc59df6-102
0.531
ERI-UCB-fbdd3ea1-11
0.529
LON-WEI-b8d98729-23
0.529
NIM-NMI-8bb27a2b-19
0.528
LON-WEI-adc59df6-35
0.528
LON-WEI-d1c9908a-7
0.527
LON-WEI-adc59df6-29
0.523
LON-WEI-adc59df6-14
0.523
ERI-UCB-fbdd3ea1-17
0.522
LON-WEI-adc59df6-28
0.522
LON-WEI-adc59df6-58
0.517
ERI-UCB-fbdd3ea1-15
0.517
ERI-UCB-fbdd3ea1-16
0.516
LON-WEI-adc59df6-41
0.516
RIT-AID-af4ac3d4-1
0.516
LON-WEI-adc59df6-1
0.516
LON-WEI-adc59df6-18
0.516
RIT-AID-a497c99f-1
0.512
NIM-NMI-8bb27a2b-24
0.511
LON-WEI-adc59df6-17
0.511
LON-WEI-adc59df6-42
0.511
LON-WEI-adc59df6-36
0.511
LON-WEI-adc59df6-2
0.511
ALP-POS-c59291d4-6
0.506
ERI-UCB-fbdd3ea1-12
0.505
BRU-LEF-973da26b-1
0.505
NIM-NMI-8bb27a2b-23
0.505
LON-WEI-adc59df6-12
0.505
LON-WEI-adc59df6-37
0.505
LON-WEI-adc59df6-8
0.500
LON-WEI-b8d98729-12
0.500
LON-WEI-b8d98729-27
0.500
LON-WEI-d1c9908a-3
0.495
ERI-UCB-fbdd3ea1-30
0.495
LON-WEI-adc59df6-10
0.495
LON-WEI-adc59df6-40
0.495
NIM-NMI-8bb27a2b-17
0.494
LON-WEI-adc59df6-6
0.490
LON-WEI-adc59df6-24
0.490
LON-WEI-adc59df6-9
0.490
LON-WEI-d1c9908a-5
0.490
NIM-NMI-8bb27a2b-18
0.489
LON-WEI-b8d98729-47
0.489
LON-WEI-adc59df6-39
0.489
NIM-NMI-8bb27a2b-16
0.489
RAL-MED-9a5eb9cb-15
0.489
LON-WEI-adc59df6-72
0.489
LON-WEI-adc59df6-60
0.489
LON-WEI-adc59df6-45
0.485
LON-WEI-d1c9908a-9
0.485
ERI-UCB-fbdd3ea1-31
0.484
LON-WEI-adc59df6-20
0.484
LON-WEI-adc59df6-46
0.484
NIM-NMI-8bb27a2b-22
0.484