Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)[C@H]1CCCOC1 |
MW: | 451.2 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 2.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-1
0.884
BRU-THA-92256091-13
0.796
BRU-THA-92256091-9
0.796
ALP-POS-ced8ea4d-14
0.792
BRU-THA-92256091-38
0.772
ALP-POS-e980f4ea-14
0.772
BRU-THA-92256091-39
0.765
BRU-THA-92256091-33
0.757
BRU-THA-92256091-71
0.750
BRU-THA-92256091-29
0.743
BRU-THA-92256091-49
0.743
BRU-THA-92256091-50
0.743
BRU-THA-92256091-2
0.743
BRU-THA-92256091-40
0.736
BRU-THA-92256091-25
0.731
BRU-THA-92256091-3
0.731
BRU-THA-92256091-5
0.731
BRU-THA-92256091-69
0.731
BRU-THA-92256091-46
0.729
BRU-THA-92256091-36
0.726
BRU-THA-92256091-34
0.724
BRU-THA-92256091-70
0.722
BRU-THA-92256091-48
0.716
BRU-THA-92256091-4
0.713
BRU-THA-92256091-56
0.712
BRU-THA-92256091-47
0.709
BRU-THA-92256091-37
0.704
BRU-THA-92256091-72
0.694
BRU-THA-92256091-74
0.694
ALP-POS-ced8ea4d-66
0.689
BRU-THA-92256091-82
0.688
BRU-THA-92256091-81
0.688
BRU-THA-92256091-58
0.681
BRU-THA-92256091-57
0.679
BRU-THA-92256091-89
0.679
ALP-POS-e980f4ea-66
0.670
BRU-THA-92256091-73
0.670
BRU-THA-92256091-90
0.661
BRU-THA-92256091-35
0.640
BRU-THA-92256091-45
0.637
BRU-THA-92256091-53
0.637
ALP-POS-ced8ea4d-13
0.624
ALP-POS-ced8ea4d-22
0.624
ALP-POS-e980f4ea-13
0.617
ALP-POS-e980f4ea-22
0.617
BRU-THA-92256091-75
0.613
ALP-POS-ced8ea4d-45
0.611
ALP-POS-ced8ea4d-2
0.607
BRU-THA-92256091-80
0.607
BRU-THA-92256091-11
0.606
BRU-THA-92256091-84
0.597
ALP-POS-e980f4ea-2
0.595
BRU-THA-92256091-91
0.593
ALP-POS-e980f4ea-45
0.593
BRU-THA-92256091-79
0.591
BRU-THA-92256091-8
0.589
BRU-THA-92256091-7
0.589
ALP-POS-e980f4ea-43
0.588
ALP-POS-ced8ea4d-43
0.586
BRU-THA-92256091-6
0.582
WIL-UNI-354943b6-12
0.579
BRU-THA-92256091-24
0.578
ALP-POS-1245c3fa-1
0.578
ALP-POS-ced8ea4d-56
0.578
BRU-THA-92256091-19
0.577
ALP-POS-1245c3fa-2
0.577
ALP-POS-ced8ea4d-61
0.576
ALP-POS-e980f4ea-56
0.574
BRU-THA-92256091-22
0.573
BRU-THA-92256091-32
0.571
BRU-THA-92256091-27
0.571
ALP-POS-e980f4ea-42
0.569
ALP-POS-e980f4ea-61
0.569
BRU-THA-92256091-83
0.568
MAT-POS-f2460aef-3
0.568
ALP-POS-ced8ea4d-42
0.563
WIL-UNI-354943b6-6
0.563
BRU-THA-92256091-54
0.563
BRU-THA-92256091-15
0.562
WIL-UNI-354943b6-3
0.561
WIL-UNI-354943b6-4
0.559
ALP-POS-ced8ea4d-57
0.558
BRU-THA-92256091-55
0.558
BRU-THA-92256091-18
0.558
WIL-UNI-354943b6-2
0.558
WIL-UNI-354943b6-10
0.558
WIL-UNI-354943b6-5
0.557
ALP-POS-e980f4ea-60
0.555
ALP-POS-ced8ea4d-6
0.555
ALP-POS-e980f4ea-57
0.555
ALP-POS-ced8ea4d-60
0.554
BRU-THA-92256091-30
0.553
BRU-THA-92256091-23
0.553
BRU-THA-92256091-31
0.553
BRU-THA-92256091-26
0.552
WIL-UNI-354943b6-8
0.552
BRU-THA-92256091-85
0.552
BRU-THA-92256091-61
0.551
ALP-POS-ced8ea4d-55
0.550
BRU-THA-92256091-14
0.548