Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)[C@H]1CCc2ccccc21 |
MW: | 483.21 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 90.98 |
cLogP: | 4.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-35
0.833
BRU-THA-92256091-53
0.810
ALP-POS-ced8ea4d-23
0.794
ALP-POS-e980f4ea-23
0.764
BRU-THA-92256091-57
0.679
BRU-THA-92256091-13
0.676
BRU-THA-92256091-9
0.676
ALP-POS-ced8ea4d-29
0.649
BRU-THA-92256091-2
0.645
BRU-THA-92256091-38
0.643
BRU-THA-92256091-1
0.643
ALP-POS-ced8ea4d-3
0.641
BRU-THA-92256091-10
0.637
ALP-POS-e980f4ea-29
0.637
BRU-THA-92256091-3
0.637
BRU-THA-92256091-5
0.637
BRU-THA-92256091-25
0.637
BRU-THA-92256091-69
0.637
BRU-THA-92256091-29
0.635
BRU-THA-92256091-49
0.635
BRU-THA-92256091-34
0.632
BRU-THA-92256091-33
0.632
BRU-THA-92256091-71
0.626
BRU-THA-92256091-58
0.625
BRU-THA-92256091-46
0.624
BRU-THA-92256091-39
0.623
BRU-THA-92256091-89
0.622
BRU-THA-92256091-72
0.621
BRU-THA-92256091-50
0.621
BRU-THA-92256091-74
0.621
BRU-THA-92256091-36
0.621
BRU-THA-92256091-82
0.615
BRU-THA-92256091-81
0.615
ALP-POS-e980f4ea-3
0.612
BRU-THA-92256091-4
0.610
BRU-THA-92256091-90
0.607
BRU-THA-92256091-70
0.605
BRU-THA-92256091-37
0.602
BRU-THA-92256091-40
0.602
BRU-THA-92256091-56
0.598
BRU-THA-92256091-47
0.595
BRU-THA-92256091-11
0.593
BRU-THA-92256091-7
0.591
BRU-THA-92256091-73
0.587
BRU-THA-92256091-48
0.587
BRU-THA-92256091-8
0.577
BRU-THA-92256091-27
0.574
BRU-THA-92256091-6
0.570
BRU-THA-92256091-26
0.568
BRU-THA-92256091-75
0.559
BRU-THA-92256091-80
0.555
BRU-THA-92256091-24
0.553
ALP-POS-1245c3fa-1
0.553
BRU-THA-92256091-15
0.552
ALP-POS-1245c3fa-2
0.552
BRU-THA-92256091-22
0.548
MAT-POS-f2460aef-3
0.543
BRU-THA-92256091-41
0.541
BRU-THA-92256091-79
0.541
BRU-THA-92256091-19
0.538
BRU-THA-92256091-28
0.537
ALP-POS-ced8ea4d-33
0.537
WIL-UNI-354943b6-2
0.534
BRU-THA-92256091-32
0.534
WIL-UNI-354943b6-10
0.534
BRU-THA-92256091-18
0.534
BRU-THA-92256091-21
0.533
BRU-THA-92256091-83
0.532
BRU-THA-92256091-91
0.532
ALP-POS-ced8ea4d-13
0.529
ALP-POS-ced8ea4d-22
0.529
BRU-THA-92256091-23
0.529
BRU-THA-92256091-31
0.529
BRU-THA-92256091-30
0.529
BRU-THA-92256091-85
0.529
WIL-UNI-354943b6-12
0.529
WIL-UNI-354943b6-6
0.528
BRU-THA-92256091-54
0.528
WIL-UNI-354943b6-7
0.525
BRU-THA-92256091-14
0.525
BRU-THA-92256091-16
0.525
WIL-UNI-354943b6-3
0.525
BRU-THA-92256091-17
0.525
BRU-THA-92256091-20
0.525
WIL-UNI-354943b6-9
0.525
WIL-UNI-354943b6-11
0.524
BRU-THA-92256091-55
0.524
ALP-POS-e980f4ea-13
0.521
ALP-POS-e980f4ea-22
0.521
WIL-UNI-354943b6-5
0.521
ALP-POS-e980f4ea-33
0.520
BRU-THA-92256091-12
0.520
BRU-THA-92256091-88
0.520
WIL-UNI-354943b6-8
0.516
WIL-UNI-354943b6-14
0.516
ALP-POS-ced8ea4d-14
0.512
BRU-THA-92256091-64
0.512
ALP-POS-ced8ea4d-43
0.512
WIL-UNI-354943b6-4
0.512
WIL-UNI-354943b6-13
0.512