Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)[C@H]1CCC2(CCC2)C1 |
MW: | 475.24 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 90.98 |
cLogP: | 4.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-34
0.957
BRU-THA-92256091-46
0.880
BRU-THA-92256091-56
0.874
BRU-THA-92256091-50
0.771
BRU-THA-92256091-13
0.755
BRU-THA-92256091-9
0.755
BRU-THA-92256091-40
0.748
BRU-THA-92256091-49
0.738
BRU-THA-92256091-38
0.733
BRU-THA-92256091-37
0.731
BRU-THA-92256091-10
0.726
BRU-THA-92256091-2
0.721
BRU-THA-92256091-33
0.720
BRU-THA-92256091-1
0.717
BRU-THA-92256091-71
0.713
BRU-THA-92256091-48
0.712
BRU-THA-92256091-69
0.710
BRU-THA-92256091-25
0.710
BRU-THA-92256091-3
0.710
BRU-THA-92256091-5
0.710
BRU-THA-92256091-39
0.694
BRU-THA-92256091-29
0.691
ALP-POS-ced8ea4d-61
0.688
BRU-THA-92256091-4
0.679
BRU-THA-92256091-74
0.676
BRU-THA-92256091-72
0.676
BRU-THA-92256091-70
0.673
BRU-THA-92256091-81
0.670
BRU-THA-92256091-82
0.670
ALP-POS-e980f4ea-61
0.667
BRU-THA-92256091-89
0.661
BRU-THA-92256091-47
0.661
BRU-THA-92256091-73
0.652
BRU-THA-92256091-90
0.644
BRU-THA-92256091-58
0.636
BRU-THA-92256091-35
0.623
BRU-THA-92256091-45
0.621
BRU-THA-92256091-53
0.621
BRU-THA-92256091-57
0.617
BRU-THA-92256091-75
0.596
BRU-THA-92256091-11
0.589
ALP-POS-e980f4ea-22
0.586
ALP-POS-e980f4ea-13
0.586
ALP-POS-ced8ea4d-13
0.579
ALP-POS-ced8ea4d-22
0.579
ALP-POS-e980f4ea-45
0.578
ALP-POS-ced8ea4d-56
0.576
BRU-THA-92256091-8
0.573
BRU-THA-92256091-7
0.573
ALP-POS-e980f4ea-6
0.573
ALP-POS-ced8ea4d-14
0.573
ALP-POS-e980f4ea-56
0.573
ALP-POS-e980f4ea-14
0.569
ALP-POS-ced8ea4d-45
0.568
ALP-POS-ced8ea4d-6
0.567
BRU-THA-92256091-6
0.566
ALP-POS-e980f4ea-2
0.565
ALP-POS-ced8ea4d-2
0.564
ALP-POS-1245c3fa-1
0.562
BRU-THA-92256091-24
0.562
ALP-POS-1245c3fa-2
0.561
BRU-THA-92256091-22
0.558
ALP-POS-ced8ea4d-57
0.557
BRU-THA-92256091-27
0.557
BRU-THA-92256091-32
0.557
ALP-POS-ced8ea4d-66
0.556
BRU-THA-92256091-83
0.554
ALP-POS-e980f4ea-57
0.554
MAT-POS-f2460aef-3
0.553
ALP-POS-e980f4ea-66
0.552
BRU-THA-92256091-26
0.551
WIL-UNI-354943b6-12
0.551
BRU-THA-92256091-80
0.551
BRU-THA-92256091-15
0.548
BRU-THA-92256091-19
0.548
WIL-UNI-354943b6-3
0.547
ALP-POS-e980f4ea-43
0.546
WIL-UNI-354943b6-9
0.546
ALP-POS-ced8ea4d-43
0.545
WIL-UNI-354943b6-11
0.545
BRU-THA-92256091-18
0.543
WIL-UNI-354943b6-10
0.543
WIL-UNI-354943b6-2
0.543
BRU-THA-92256091-21
0.542
BRU-THA-92256091-31
0.538
BRU-THA-92256091-23
0.538
BRU-THA-92256091-30
0.538
WIL-UNI-354943b6-8
0.538
BRU-THA-92256091-79
0.537
WIL-UNI-354943b6-6
0.537
BRU-THA-92256091-14
0.534
BRU-THA-92256091-20
0.534
WIL-UNI-354943b6-7
0.534
BRU-THA-92256091-16
0.534
BRU-THA-92256091-17
0.534
BRU-THA-92256091-28
0.533
WIL-UNI-354943b6-4
0.533
WIL-UNI-354943b6-13
0.533
BRU-THA-92256091-63
0.532
BRU-THA-92256091-84
0.532