Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc2c(c1)CCC2)c1cccnc1 |
MW: | 453.586 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 5.76680000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-46
0.696
LON-WEI-adc59df6-5
0.670
LON-WEI-adc59df6-12
0.663
LON-WEI-adc59df6-15
0.663
LON-WEI-adc59df6-41
0.663
LON-WEI-adc59df6-4
0.653
LON-WEI-adc59df6-43
0.653
LON-WEI-adc59df6-24
0.643
LON-WEI-d1c9908a-7
0.638
LON-WEI-adc59df6-3
0.621
LON-WEI-adc59df6-37
0.612
LON-WEI-adc59df6-14
0.602
LON-WEI-adc59df6-21
0.600
LON-WEI-adc59df6-44
0.598
LON-WEI-adc59df6-42
0.589
LON-WEI-adc59df6-35
0.589
LON-WEI-8f408cad-8
0.589
LON-WEI-adc59df6-38
0.578
LON-WEI-adc59df6-8
0.577
LON-WEI-adc59df6-30
0.576
LON-WEI-adc59df6-16
0.574
LON-WEI-adc59df6-9
0.564
LON-WEI-adc59df6-34
0.564
LON-WEI-adc59df6-33
0.564
RIT-AID-af4ac3d4-1
0.560
LON-WEI-adc59df6-18
0.560
JAN-GHE-d851b096-4
0.556
LON-WEI-adc59df6-13
0.556
LON-WEI-b8d98729-35
0.554
LON-WEI-d1c9908a-3
0.553
LON-WEI-adc59df6-31
0.552
LON-WEI-adc59df6-29
0.552
LON-WEI-adc59df6-28
0.551
LON-WEI-adc59df6-39
0.550
LON-WEI-b8d98729-33
0.549
LON-WEI-d1c9908a-10
0.549
LON-WEI-adc59df6-22
0.549
NIM-NMI-8bb27a2b-26
0.548
RAL-MED-9a5eb9cb-9
0.546
LON-WEI-b8d98729-27
0.545
LON-WEI-d1c9908a-9
0.544
LON-WEI-adc59df6-45
0.543
LON-WEI-adc59df6-17
0.541
LON-WEI-adc59df6-26
0.541
LON-WEI-adc59df6-36
0.540
NIM-NMI-8bb27a2b-25
0.534
LON-WEI-adc59df6-27
0.530
LON-WEI-adc59df6-1
0.529
LON-WEI-adc59df6-10
0.525
LON-WEI-adc59df6-40
0.525
LON-WEI-adc59df6-23
0.524
LON-WEI-adc59df6-32
0.524
LON-WEI-adc59df6-19
0.524
LON-WEI-d1c9908a-6
0.523
RAL-MED-9a5eb9cb-10
0.521
LON-WEI-adc59df6-6
0.519
LON-WEI-adc59df6-25
0.519
BRU-LEF-8bac3ce8-1
0.515
LON-WEI-adc59df6-20
0.515
LON-WEI-d1c9908a-11
0.515
LON-WEI-adc59df6-2
0.510
LON-WEI-d1c9908a-2
0.510
PAU-WEI-5b8d5051-1
0.509
LON-WEI-adc59df6-47
0.509
LON-POS-586a7c45-1
0.509
RAL-MED-9a5eb9cb-12
0.505
ERI-UCB-fbdd3ea1-4
0.505
BRU-LEF-973da26b-1
0.505
LON-WEI-d1c9908a-5
0.505
LON-WEI-d1c9908a-12
0.505
LON-WEI-b8d98729-17
0.505
LON-WEI-adc59df6-7
0.500
NIM-NMI-8bb27a2b-22
0.500
LON-WEI-b8d98729-12
0.500
LON-WEI-b8d98729-22
0.495
LON-WEI-b8d98729-24
0.495
LON-WEI-b8d98729-41
0.495
JAN-GHE-d851b096-9
0.495
NIM-NMI-8bb27a2b-17
0.495
LON-WEI-b8d98729-47
0.490
RAL-MED-9a5eb9cb-15
0.490
LON-WEI-adc59df6-82
0.490
NIM-NMI-8bb27a2b-21
0.486
LON-WEI-adc59df6-91
0.485
NIM-NMI-8bb27a2b-15
0.481
LON-WEI-adc59df6-95
0.480
LON-WEI-d1c9908a-1
0.480
LON-WEI-adc59df6-80
0.480
LON-WEI-b8d98729-7
0.475
LON-WEI-b8d98729-37
0.473
ERI-UCB-fbdd3ea1-1
0.468
ERI-UCB-fbdd3ea1-2
0.468
LON-WEI-b8d98729-39
0.468
NIM-NMI-8bb27a2b-24
0.466
NIM-NMI-8bb27a2b-19
0.466
LON-WEI-b8d98729-36
0.464
NIM-NMI-8bb27a2b-23
0.462
NIM-NMI-8bb27a2b-16
0.462
LON-WEI-b8d98729-10
0.461
LON-WEI-b8d98729-6
0.460