Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)[C@H]1CCCC2(CCC2)C1 |
MW: | 489.25 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 90.98 |
cLogP: | 4.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-36
0.880
BRU-THA-92256091-34
0.842
ALP-POS-ced8ea4d-61
0.785
BRU-THA-92256091-56
0.773
ALP-POS-e980f4ea-61
0.764
BRU-THA-92256091-9
0.757
BRU-THA-92256091-13
0.757
BRU-THA-92256091-38
0.736
BRU-THA-92256091-40
0.734
BRU-THA-92256091-10
0.729
BRU-THA-92256091-50
0.725
BRU-THA-92256091-33
0.722
BRU-THA-92256091-37
0.718
BRU-THA-92256091-71
0.716
BRU-THA-92256091-49
0.709
BRU-THA-92256091-2
0.708
BRU-THA-92256091-1
0.704
BRU-THA-92256091-48
0.699
BRU-THA-92256091-5
0.697
BRU-THA-92256091-25
0.697
BRU-THA-92256091-69
0.697
BRU-THA-92256091-3
0.697
BRU-THA-92256091-39
0.682
BRU-THA-92256091-4
0.681
BRU-THA-92256091-29
0.679
BRU-THA-92256091-70
0.675
BRU-THA-92256091-81
0.673
BRU-THA-92256091-82
0.673
BRU-THA-92256091-89
0.664
BRU-THA-92256091-74
0.664
BRU-THA-92256091-72
0.664
BRU-THA-92256091-47
0.650
BRU-THA-92256091-90
0.647
BRU-THA-92256091-73
0.641
BRU-THA-92256091-58
0.639
BRU-THA-92256091-35
0.626
BRU-THA-92256091-45
0.624
BRU-THA-92256091-53
0.610
BRU-THA-92256091-57
0.607
BRU-THA-92256091-75
0.600
ALP-POS-e980f4ea-13
0.589
ALP-POS-e980f4ea-22
0.589
ALP-POS-ced8ea4d-13
0.583
ALP-POS-ced8ea4d-22
0.583
BRU-THA-92256091-11
0.578
BRU-THA-92256091-7
0.577
BRU-THA-92256091-8
0.577
ALP-POS-ced8ea4d-14
0.576
ALP-POS-e980f4ea-14
0.573
ALP-POS-ced8ea4d-45
0.571
BRU-THA-92256091-6
0.570
ALP-POS-e980f4ea-2
0.569
ALP-POS-e980f4ea-45
0.568
ALP-POS-ced8ea4d-2
0.568
ALP-POS-e980f4ea-6
0.563
BRU-THA-92256091-22
0.561
BRU-THA-92256091-27
0.560
ALP-POS-ced8ea4d-6
0.557
BRU-THA-92256091-26
0.555
ALP-POS-ced8ea4d-56
0.554
BRU-THA-92256091-24
0.553
ALP-POS-1245c3fa-1
0.553
ALP-POS-1245c3fa-2
0.552
ALP-POS-e980f4ea-56
0.550
ALP-POS-ced8ea4d-57
0.548
BRU-THA-92256091-32
0.547
ALP-POS-ced8ea4d-66
0.546
BRU-THA-92256091-83
0.545
ALP-POS-e980f4ea-57
0.545
MAT-POS-f2460aef-3
0.543
ALP-POS-e980f4ea-66
0.542
BRU-THA-92256091-80
0.542
WIL-UNI-354943b6-12
0.542
BRU-THA-92256091-15
0.538
BRU-THA-92256091-19
0.538
BRU-THA-92256091-16
0.538
WIL-UNI-354943b6-3
0.538
BRU-THA-92256091-28
0.537
ALP-POS-e980f4ea-43
0.537
ALP-POS-ced8ea4d-43
0.537
WIL-UNI-354943b6-11
0.537
BRU-THA-92256091-63
0.536
BRU-THA-92256091-18
0.534
WIL-UNI-354943b6-10
0.534
WIL-UNI-354943b6-2
0.534
BRU-THA-92256091-23
0.529
BRU-THA-92256091-30
0.529
BRU-THA-92256091-31
0.529
WIL-UNI-354943b6-8
0.529
BRU-THA-92256091-79
0.528
ALP-POS-e980f4ea-55
0.528
ALP-POS-ced8ea4d-42
0.528
ALP-POS-ced8ea4d-55
0.528
WIL-UNI-354943b6-6
0.528
BRU-THA-92256091-17
0.525
BRU-THA-92256091-14
0.525
BRU-THA-92256091-20
0.525
WIL-UNI-354943b6-7
0.525
WIL-UNI-354943b6-9
0.525
WIL-UNI-354943b6-4
0.524