Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCCC2(CCC2)C1 |
MW: | 490.24 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 4.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
BRU-THA-92256091-46
0.785
ALP-POS-ced8ea4d-13
0.760
ALP-POS-ced8ea4d-22
0.760
ALP-POS-ced8ea4d-2
0.738
ALP-POS-ced8ea4d-14
0.731
ALP-POS-e980f4ea-61
0.725
ALP-POS-ced8ea4d-45
0.725
ALP-POS-ced8ea4d-6
0.721
ALP-POS-ced8ea4d-56
0.718
ALP-POS-ced8ea4d-66
0.713
ALP-POS-ced8ea4d-57
0.708
BRU-THA-92256091-36
0.688
ALP-POS-ced8ea4d-42
0.684
ALP-POS-ced8ea4d-43
0.681
ALP-POS-ced8ea4d-31
0.672
ALP-POS-ced8ea4d-55
0.670
ALP-POS-ced8ea4d-60
0.658
BRU-THA-92256091-34
0.655
ALP-POS-ced8ea4d-26
0.650
ALP-POS-ced8ea4d-4
0.647
ALP-POS-ced8ea4d-29
0.629
ALP-POS-ced8ea4d-23
0.622
BRU-THA-92256091-56
0.620
ALP-POS-ced8ea4d-33
0.610
ALP-POS-ced8ea4d-63
0.609
ALP-POS-ced8ea4d-3
0.608
ALP-POS-ced8ea4d-7
0.591
ALP-POS-ced8ea4d-64
0.589
BRU-THA-92256091-40
0.583
BRU-THA-92256091-9
0.583
BRU-THA-92256091-13
0.583
ALP-POS-ced8ea4d-28
0.580
ALP-POS-ced8ea4d-41
0.578
BRU-THA-92256091-10
0.576
BRU-THA-92256091-50
0.575
ALP-POS-ced8ea4d-54
0.574
BRU-THA-92256091-33
0.571
BRU-THA-92256091-38
0.568
BRU-THA-92256091-49
0.562
ALP-POS-ced8ea4d-58
0.558
BRU-THA-92256091-37
0.557
ALP-POS-e980f4ea-13
0.557
ALP-POS-e980f4ea-22
0.557
ALP-POS-ced8ea4d-27
0.557
BRU-THA-92256091-48
0.556
BRU-THA-92256091-2
0.556
ALP-POS-95f71980-14
0.556
BRU-THA-92256091-1
0.555
ALP-POS-95f71980-1
0.555
ALP-POS-ced8ea4d-40
0.554
BRU-THA-92256091-71
0.554
ALP-POS-ced8ea4d-17
0.553
ALP-POS-02c6a514-50
0.552
ALP-POS-95f71980-9
0.552
ALP-POS-ced8ea4d-37
0.551
ALP-POS-ced8ea4d-62
0.550
ALP-POS-95f71980-40
0.549
ALP-POS-ced8ea4d-9
0.547
ALP-POS-95f71980-13
0.546
ALP-UNI-fe744232-22
0.545
ALP-UNI-fe744232-18
0.542
ALP-POS-ced8ea4d-19
0.542
ALP-POS-95f71980-20
0.542
ALP-POS-e980f4ea-14
0.542
ALP-POS-ced8ea4d-51
0.542
ALP-POS-95f71980-26
0.540
ALP-UNI-fe744232-3
0.538
ALP-POS-e980f4ea-2
0.538
ALP-POS-ced8ea4d-67
0.538
BRU-THA-92256091-3
0.537
BRU-THA-92256091-5
0.537
BRU-THA-92256091-25
0.537
BRU-THA-92256091-39
0.537
ALP-POS-95f71980-31
0.537
ALP-POS-95f71980-39
0.537
BRU-THA-92256091-69
0.537
ALP-POS-e980f4ea-45
0.537
ALP-POS-ced8ea4d-59
0.537
BRU-THA-92256091-29
0.537
BRU-THA-92256091-70
0.536
ALP-POS-95f71980-10
0.536
ALP-POS-ced8ea4d-18
0.535
ALP-POS-95f71980-16
0.533
ALP-UNI-fe744232-14
0.533
ALP-POS-ced8ea4d-49
0.533
ALP-POS-ced8ea4d-52
0.533
ALP-POS-ced8ea4d-5
0.533
ALP-POS-ced8ea4d-11
0.533
ALP-POS-ced8ea4d-39
0.533
ALP-POS-e980f4ea-6
0.533
ALP-POS-e980f4ea-56
0.533
ALP-UNI-fe744232-11
0.532
ALP-POS-ced8ea4d-46
0.532
ALP-UNI-fe744232-13
0.532
ALP-POS-95f71980-27
0.532
ALP-POS-95f71980-34
0.532
ALP-POS-95f71980-28
0.532
ALP-POS-ced8ea4d-32
0.531
ALP-UNI-fe744232-9
0.529
ALP-POS-95f71980-36
0.529