Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)[C@H]1CCc2cc(F)ccc21 |
MW: | 501.2 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 90.98 |
cLogP: | 4.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-45
0.810
ALP-POS-ced8ea4d-3
0.794
ALP-POS-e980f4ea-3
0.764
BRU-THA-92256091-35
0.716
BRU-THA-92256091-57
0.709
BRU-THA-92256091-9
0.661
BRU-THA-92256091-13
0.661
BRU-THA-92256091-2
0.645
BRU-THA-92256091-1
0.643
BRU-THA-92256091-38
0.643
ALP-POS-ced8ea4d-23
0.641
BRU-THA-92256091-10
0.637
BRU-THA-92256091-25
0.637
BRU-THA-92256091-3
0.637
BRU-THA-92256091-69
0.637
BRU-THA-92256091-5
0.637
BRU-THA-92256091-29
0.635
BRU-THA-92256091-33
0.632
BRU-THA-92256091-34
0.632
BRU-THA-92256091-71
0.626
BRU-THA-92256091-39
0.623
BRU-THA-92256091-49
0.621
BRU-THA-92256091-50
0.621
BRU-THA-92256091-36
0.621
BRU-THA-92256091-72
0.621
BRU-THA-92256091-74
0.621
ALP-POS-e980f4ea-23
0.612
BRU-THA-92256091-4
0.610
BRU-THA-92256091-46
0.610
BRU-THA-92256091-70
0.605
BRU-THA-92256091-81
0.602
BRU-THA-92256091-82
0.602
BRU-THA-92256091-40
0.602
BRU-THA-92256091-37
0.602
BRU-THA-92256091-56
0.598
BRU-THA-92256091-6
0.598
BRU-THA-92256091-47
0.595
BRU-THA-92256091-89
0.595
BRU-THA-92256091-90
0.593
BRU-THA-92256091-48
0.587
BRU-THA-92256091-73
0.587
BRU-THA-92256091-58
0.585
BRU-THA-92256091-11
0.578
BRU-THA-92256091-8
0.577
BRU-THA-92256091-7
0.577
BRU-THA-92256091-75
0.573
ALP-POS-1245c3fa-1
0.566
BRU-THA-92256091-24
0.566
BRU-THA-92256091-15
0.565
ALP-POS-ced8ea4d-33
0.562
BRU-THA-92256091-22
0.561
MAT-POS-f2460aef-3
0.557
BRU-THA-92256091-26
0.555
BRU-THA-92256091-80
0.555
ALP-POS-ced8ea4d-29
0.554
BRU-THA-92256091-19
0.552
ALP-POS-1245c3fa-2
0.552
WIL-UNI-354943b6-2
0.547
WIL-UNI-354943b6-10
0.547
BRU-THA-92256091-27
0.547
BRU-THA-92256091-18
0.547
BRU-THA-92256091-21
0.546
ALP-POS-e980f4ea-33
0.545
BRU-THA-92256091-83
0.545
BRU-THA-92256091-23
0.542
WIL-UNI-354943b6-12
0.542
ALP-POS-e980f4ea-29
0.542
WIL-UNI-354943b6-6
0.540
WIL-UNI-354943b6-3
0.538
WIL-UNI-354943b6-7
0.538
BRU-THA-92256091-17
0.538
BRU-THA-92256091-14
0.538
BRU-THA-92256091-16
0.538
BRU-THA-92256091-20
0.538
WIL-UNI-354943b6-9
0.537
WIL-UNI-354943b6-11
0.537
BRU-THA-92256091-32
0.534
WIL-UNI-354943b6-5
0.533
BRU-THA-92256091-91
0.532
BRU-THA-92256091-30
0.529
BRU-THA-92256091-31
0.529
WIL-UNI-354943b6-8
0.529
BRU-THA-92256091-85
0.529
WIL-UNI-354943b6-14
0.529
BRU-THA-92256091-41
0.528
BRU-THA-92256091-79
0.528
BRU-THA-92256091-54
0.528
BRU-THA-92256091-28
0.525
WIL-UNI-354943b6-4
0.524
WIL-UNI-354943b6-13
0.524
BRU-THA-92256091-55
0.524
BRU-THA-92256091-84
0.523
WIL-UNI-354943b6-1
0.520
BRU-THA-92256091-88
0.520
ALP-POS-ced8ea4d-22
0.517
ALP-POS-ced8ea4d-13
0.517
BRU-THA-92256091-86
0.516
BRU-THA-92256091-59
0.516
ALP-POS-ced8ea4d-14
0.512
ALP-POS-ced8ea4d-43
0.512