Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C2(C)CC2)cc1)C(C(=O)Nc1ccc(Cl)cc1)c1cccnc1 |
MW: | 445.95 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 62.3 |
cLogP: | 5.68550000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z4444602570 |
Order Status | |
Shipped: | 2020-04-27 |
AAR-POS-d2a4d1df-1
LON-WEI-d1c9908a-11
0.817
LON-WEI-d1c9908a-5
0.798
LON-WEI-b8d98729-24
0.729
LON-WEI-b8d98729-22
0.705
LON-WEI-b8d98729-33
0.697
LON-WEI-d1c9908a-6
0.696
LON-WEI-d1c9908a-1
0.679
LON-WEI-d1c9908a-13
0.642
LON-WEI-b8d98729-11
0.641
LON-WEI-d1c9908a-8
0.632
LON-WEI-d1c9908a-4
0.619
JAN-GHE-d851b096-4
0.615
LON-WEI-adc59df6-41
0.604
BRU-LEF-973da26b-1
0.593
LON-WEI-b8d98729-44
0.586
LON-WEI-b8d98729-12
0.585
LON-WEI-d1c9908a-7
0.581
LON-WEI-b8d98729-47
0.574
RAL-MED-9a5eb9cb-9
0.571
RIT-AID-af4ac3d4-1
0.568
LON-WEI-b8d98729-27
0.568
LON-WEI-b8d98729-35
0.562
LON-WEI-b8d98729-21
0.551
ALP-POS-568d9d36-1
0.551
NIM-NMI-8bb27a2b-25
0.541
LON-WEI-adc59df6-46
0.536
WIL-UNI-a125ac6f-1
0.527
LON-WEI-b8d98729-14
0.525
JAN-GHE-d851b096-9
0.516
LON-WEI-adc59df6-42
0.516
LON-WEI-adc59df6-5
0.515
LON-WEI-8f408cad-10
0.515
LON-WEI-adc59df6-9
0.510
LON-WEI-adc59df6-33
0.510
LON-WEI-adc59df6-12
0.510
LON-WEI-adc59df6-15
0.510
LON-WEI-adc59df6-37
0.510
LON-WEI-adc59df6-11
0.510
LON-WEI-adc59df6-3
0.506
LON-WEI-adc59df6-20
0.505
LON-WEI-adc59df6-43
0.505
LON-WEI-adc59df6-4
0.505
LON-WEI-adc59df6-13
0.505
LON-WEI-b8d98729-17
0.495
LON-WEI-adc59df6-24
0.495
RAL-MED-9a5eb9cb-10
0.495
LON-WEI-8f408cad-8
0.495
LON-WEI-adc59df6-44
0.489
NIM-NMI-8bb27a2b-28
0.485
LON-WEI-adc59df6-95
0.485
LON-WEI-adc59df6-30
0.484
LON-WEI-adc59df6-80
0.484
NIM-NMI-8bb27a2b-26
0.481
LON-WEI-adc59df6-14
0.479
LON-WEI-b8d98729-7
0.479
RAL-MED-9a5eb9cb-12
0.479
ERI-UCB-fbdd3ea1-4
0.479
LON-WEI-b8d98729-6
0.479
LON-WEI-b8d98729-9
0.476
NIM-NMI-8bb27a2b-21
0.476
BRU-LEF-e1854a6f-1
0.475
NIM-NMI-8bb27a2b-22
0.475
LON-WEI-adc59df6-21
0.473
RAL-MED-9a5eb9cb-6
0.473
LON-WEI-b8d98729-25
0.472
LON-WEI-adc59df6-35
0.469
NIM-NMI-8bb27a2b-17
0.469
LON-WEI-d1c9908a-12
0.466
LON-WEI-adc59df6-34
0.466
LON-WEI-adc59df6-39
0.465
LON-WEI-b8d98729-10
0.464
LON-WEI-adc59df6-82
0.464
LON-WEI-b8d98729-16
0.463
LON-WEI-adc59df6-16
0.462
LON-WEI-d1c9908a-9
0.462
LON-WEI-adc59df6-18
0.461
LON-WEI-adc59df6-8
0.460
BRU-LEF-8bac3ce8-1
0.460
LON-WEI-adc59df6-91
0.459
LON-WEI-b8d98729-29
0.457
LON-WEI-b8d98729-19
0.456
LON-WEI-b8d98729-41
0.455
LON-WEI-b8d98729-36
0.454
JAN-GHE-d851b096-8
0.454
RAL-MED-9a5eb9cb-14
0.453
LON-WEI-d1c9908a-10
0.452
RAL-MED-9a5eb9cb-4
0.452
NIM-NMI-8bb27a2b-16
0.450
RAL-MED-9a5eb9cb-15
0.450
LON-WEI-adc59df6-28
0.450
LON-WEI-adc59df6-29
0.449
LON-WEI-adc59df6-31
0.449
LON-WEI-b8d98729-28
0.449
LON-WEI-adc59df6-45
0.449
LON-WEI-b8d98729-2
0.448
LON-WEI-adc59df6-38
0.447
LON-WEI-b8d98729-39
0.443
LON-WEI-d1c9908a-3
0.443
ERI-UCB-fbdd3ea1-1
0.443
ERI-UCB-fbdd3ea1-2
0.443