Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NC2CCCCC2)c2cccnc2)cc1 |
MW: | 459.26 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 90.98 |
cLogP: | 4.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-88a7a97e-28
0.711
ALP-POS-88a7a97e-45
0.689
ALP-POS-88a7a97e-12
0.659
LON-WEI-adc59df6-8
0.656
ALP-POS-84f19ead-3
0.644
ALP-POS-84f19ead-1
0.641
LON-WEI-adc59df6-35
0.615
ALP-POS-88a7a97e-9
0.612
ALP-POS-84f19ead-2
0.611
MAT-POS-f2460aef-3
0.604
ALP-POS-84f19ead-4
0.600
ALP-POS-88a7a97e-34
0.594
LON-WEI-adc59df6-14
0.593
ALP-POS-88a7a97e-30
0.574
ALP-POS-88a7a97e-39
0.570
LON-WEI-adc59df6-44
0.554
ALP-POS-88a7a97e-15
0.553
NIM-NMI-8bb27a2b-15
0.546
ALP-POS-88a7a97e-6
0.542
ALP-POS-88a7a97e-43
0.538
WIL-UNI-354943b6-10
0.533
ALP-POS-88a7a97e-1
0.526
ALP-POS-88a7a97e-7
0.526
ALP-POS-42f3de95-2
0.524
ALP-POS-88a7a97e-14
0.521
ALP-POS-88a7a97e-25
0.518
ALP-POS-88a7a97e-18
0.515
ALP-POS-88a7a97e-11
0.514
ALP-POS-88a7a97e-35
0.510
RAL-MED-9a5eb9cb-15
0.510
LON-WEI-adc59df6-39
0.510
ALP-POS-88a7a97e-33
0.510
ALP-POS-88a7a97e-10
0.510
ALP-POS-88a7a97e-32
0.510
ALP-POS-88a7a97e-26
0.509
ALP-POS-88a7a97e-27
0.505
BRU-THA-92256091-83
0.504
ALP-POS-88a7a97e-47
0.500
WIL-UNI-354943b6-6
0.500
ALP-POS-88a7a97e-31
0.500
ALP-POS-88a7a97e-38
0.495
ALP-POS-88a7a97e-22
0.495
ALP-POS-88a7a97e-2
0.495
ALP-POS-88a7a97e-16
0.490
ALP-POS-88a7a97e-40
0.487
ALP-POS-88a7a97e-24
0.487
ALP-POS-88a7a97e-37
0.487
ALP-POS-88a7a97e-23
0.487
WIL-UNI-de614146-7
0.481
ALP-POS-88a7a97e-41
0.481
BRU-THA-92256091-24
0.481
ALP-POS-1245c3fa-1
0.481
NIM-NMI-8bb27a2b-1
0.481
ALP-POS-88a7a97e-4
0.481
ALP-POS-88a7a97e-3
0.481
ALP-POS-88a7a97e-46
0.481
ERI-UCB-fbdd3ea1-5
0.481
ALP-POS-88a7a97e-29
0.481
WIL-UNI-de614146-15
0.478
WIL-UNI-de614146-10
0.478
ALP-POS-88a7a97e-44
0.477
WIL-UNI-de614146-8
0.477
BRU-THA-92256091-22
0.477
ALP-POS-88a7a97e-36
0.477
WIL-UNI-de614146-3
0.477
ALP-POS-88a7a97e-5
0.476
BRU-THA-92256091-80
0.474
WIL-UNI-de614146-5
0.473
WIL-UNI-de614146-14
0.473
ALP-POS-88a7a97e-8
0.472
WIL-UNI-354943b6-4
0.470
WIL-UNI-354943b6-9
0.470
WIL-UNI-354943b6-3
0.469
LON-WEI-adc59df6-30
0.469
BRU-THA-92256091-15
0.468
BRU-THA-92256091-19
0.468
WIL-UNI-de614146-4
0.468
WIL-UNI-de614146-12
0.468
ALP-POS-88a7a97e-17
0.467
ALP-POS-88a7a97e-19
0.467
BRU-THA-92256091-18
0.464
WIL-UNI-de614146-16
0.464
WIL-UNI-de614146-2
0.464
WIL-UNI-354943b6-2
0.464
ALP-POS-42f3de95-1
0.464
ALP-POS-88a7a97e-13
0.463
BRU-THA-92256091-8
0.463
BRU-THA-92256091-86
0.462
LON-WEI-adc59df6-1
0.462
WIL-UNI-354943b6-8
0.461
WIL-UNI-354943b6-12
0.461
ALP-POS-305f6ec3-33
0.460
BRU-THA-92256091-23
0.460
WIL-UNI-de614146-9
0.460
BRU-THA-92256091-84
0.459
ALP-POS-88a7a97e-48
0.459
JAN-GHE-76def03c-1
0.458
BRU-THA-92256091-17
0.456
BRU-THA-92256091-20
0.456
WIL-UNI-de614146-6
0.456