Molecular Properties | |
SMILES: | CN1CCCC(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)C1 |
MW: | 464.23 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 94.22 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-e980f4ea-13
0.784
ALP-POS-e980f4ea-22
0.784
BRU-THA-92256091-33
0.757
ALP-POS-e980f4ea-2
0.752
ALP-POS-e980f4ea-31
0.738
ALP-POS-e980f4ea-14
0.738
ALP-POS-e980f4ea-66
0.718
ALP-POS-ced8ea4d-45
0.717
ALP-POS-e980f4ea-61
0.717
ALP-POS-e980f4ea-26
0.712
ALP-POS-e980f4ea-43
0.708
ALP-POS-e980f4ea-56
0.692
ALP-POS-e980f4ea-42
0.685
ALP-POS-e980f4ea-6
0.676
ALP-POS-e980f4ea-57
0.667
ALP-POS-e980f4ea-60
0.667
ALP-POS-e980f4ea-55
0.664
ALP-POS-e980f4ea-4
0.635
ALP-POS-e980f4ea-23
0.625
ALP-POS-e980f4ea-3
0.625
ALP-POS-e980f4ea-29
0.622
BRU-THA-92256091-9
0.615
BRU-THA-92256091-13
0.615
ALP-POS-e980f4ea-33
0.611
ALP-POS-e980f4ea-63
0.604
BRU-THA-92256091-10
0.593
ALP-POS-e980f4ea-27
0.589
ALP-POS-e980f4ea-28
0.585
BRU-THA-92256091-38
0.584
ALP-POS-e980f4ea-54
0.583
ALP-POS-e980f4ea-7
0.581
ALP-POS-ced8ea4d-13
0.580
ALP-POS-ced8ea4d-22
0.580
ALP-POS-e980f4ea-17
0.578
BRU-THA-92256091-36
0.578
ALP-POS-e980f4ea-37
0.577
ALP-POS-e980f4ea-62
0.575
ALP-POS-e980f4ea-9
0.573
ALP-POS-e980f4ea-19
0.573
ALP-POS-e980f4ea-51
0.571
ALP-POS-e980f4ea-39
0.571
BRU-THA-92256091-1
0.570
BRU-THA-92256091-71
0.569
BRU-THA-92256091-46
0.568
BRU-THA-92256091-89
0.567
BRU-THA-92256091-25
0.565
ALP-POS-e980f4ea-64
0.565
ALP-POS-e980f4ea-67
0.562
ALP-POS-e980f4ea-52
0.562
BRU-THA-92256091-34
0.560
ALP-POS-ced8ea4d-14
0.560
ALP-POS-e980f4ea-38
0.560
BRU-THA-92256091-2
0.558
ALP-POS-e980f4ea-12
0.558
ALP-POS-e980f4ea-11
0.558
ALP-POS-e980f4ea-49
0.558
ALP-POS-e980f4ea-5
0.558
ALP-POS-e980f4ea-41
0.554
BRU-THA-92256091-90
0.553
ALP-POS-e980f4ea-58
0.553
BRU-THA-92256091-5
0.552
ALP-POS-e980f4ea-44
0.552
BRU-THA-92256091-69
0.552
ALP-POS-ced8ea4d-2
0.552
BRU-THA-92256091-3
0.552
BRU-THA-92256091-29
0.551
ALP-POS-e980f4ea-8
0.551
ALP-POS-e980f4ea-10
0.551
ALP-POS-e980f4ea-18
0.551
ALP-POS-e980f4ea-20
0.551
BRU-THA-92256091-74
0.551
BRU-THA-92256091-72
0.551
ALP-POS-e980f4ea-16
0.547
ALP-POS-e980f4ea-59
0.547
ALP-POS-e980f4ea-65
0.546
BRU-THA-92256091-40
0.546
BRU-THA-92256091-73
0.545
ALP-POS-e980f4ea-25
0.545
ALP-POS-ced8ea4d-66
0.543
BRU-THA-92256091-4
0.542
ALP-POS-e980f4ea-32
0.541
BRU-THA-92256091-39
0.538
BRU-THA-92256091-49
0.538
BRU-THA-92256091-50
0.538
BRU-THA-92256091-70
0.537
ALP-POS-ced8ea4d-61
0.537
ALP-POS-e980f4ea-1
0.537
ALP-POS-b0bc6a46-28
0.534
ALP-POS-02c6a514-47
0.534
ALP-POS-e980f4ea-35
0.533
ALP-POS-e980f4ea-53
0.533
ALP-POS-e980f4ea-47
0.529
ALP-POS-ced8ea4d-31
0.528
ALP-POS-e980f4ea-34
0.525
ALP-POS-e980f4ea-21
0.525
ALP-POS-e980f4ea-24
0.525
ALP-POS-b0bc6a46-21
0.521
ALP-POS-02c6a514-36
0.521
BRU-THA-92256091-37
0.521
ALP-POS-e980f4ea-36
0.521