Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)C1CCCCC1 |
MW: | 449.22 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 90.98 |
cLogP: | 3.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-13
0.977
BRU-THA-92256091-38
0.804
BRU-THA-92256091-10
0.796
BRU-THA-92256091-25
0.796
BRU-THA-92256091-33
0.788
BRU-THA-92256091-71
0.780
BRU-THA-92256091-2
0.773
BRU-THA-92256091-49
0.772
BRU-THA-92256091-50
0.772
BRU-THA-92256091-1
0.768
ALP-POS-ced8ea4d-13
0.765
BRU-THA-92256091-3
0.760
BRU-THA-92256091-5
0.760
BRU-THA-92256091-69
0.760
BRU-THA-92256091-46
0.757
BRU-THA-92256091-36
0.755
BRU-THA-92256091-34
0.752
ALP-POS-ced8ea4d-22
0.747
BRU-THA-92256091-39
0.743
ALP-POS-e980f4ea-13
0.742
BRU-THA-92256091-29
0.738
BRU-THA-92256091-40
0.731
ALP-POS-e980f4ea-22
0.724
BRU-THA-92256091-4
0.724
BRU-THA-92256091-72
0.721
BRU-THA-92256091-74
0.721
BRU-THA-92256091-70
0.717
BRU-THA-92256091-37
0.714
BRU-THA-92256091-81
0.714
BRU-THA-92256091-82
0.714
BRU-THA-92256091-48
0.710
BRU-THA-92256091-47
0.704
BRU-THA-92256091-89
0.704
BRU-THA-92256091-73
0.694
BRU-THA-92256091-56
0.691
BRU-THA-92256091-58
0.691
BRU-THA-92256091-90
0.685
BRU-THA-92256091-35
0.679
BRU-THA-92256091-45
0.676
BRU-THA-92256091-53
0.661
BRU-THA-92256091-57
0.657
BRU-THA-92256091-75
0.636
BRU-THA-92256091-11
0.630
ALP-POS-ced8ea4d-14
0.624
ALP-POS-e980f4ea-14
0.620
ALP-POS-ced8ea4d-45
0.618
ALP-POS-e980f4ea-2
0.617
ALP-POS-ced8ea4d-2
0.615
ALP-POS-e980f4ea-45
0.615
BRU-THA-92256091-7
0.612
BRU-THA-92256091-8
0.612
BRU-THA-92256091-6
0.604
BRU-THA-92256091-83
0.602
ALP-POS-1245c3fa-1
0.600
BRU-THA-92256091-24
0.600
ALP-POS-ced8ea4d-56
0.598
ALP-POS-1245c3fa-2
0.598
BRU-THA-92256091-22
0.594
BRU-THA-92256091-27
0.593
BRU-THA-92256091-32
0.593
ALP-POS-ced8ea4d-66
0.591
ALP-POS-e980f4ea-61
0.589
MAT-POS-f2460aef-3
0.589
ALP-POS-e980f4ea-66
0.587
BRU-THA-92256091-80
0.586
BRU-THA-92256091-15
0.583
BRU-THA-92256091-19
0.583
ALP-POS-ced8ea4d-61
0.583
WIL-UNI-354943b6-3
0.582
ALP-POS-e980f4ea-43
0.580
ALP-POS-e980f4ea-56
0.580
ALP-POS-ced8ea4d-43
0.579
WIL-UNI-354943b6-2
0.578
WIL-UNI-354943b6-10
0.578
BRU-THA-92256091-18
0.578
BRU-THA-92256091-30
0.573
BRU-THA-92256091-23
0.573
BRU-THA-92256091-31
0.573
WIL-UNI-354943b6-8
0.571
WIL-UNI-354943b6-12
0.571
BRU-THA-92256091-26
0.571
BRU-THA-92256091-79
0.570
WIL-UNI-354943b6-6
0.569
WIL-UNI-354943b6-7
0.568
BRU-THA-92256091-14
0.568
BRU-THA-92256091-16
0.568
BRU-THA-92256091-17
0.568
BRU-THA-92256091-20
0.568
WIL-UNI-354943b6-9
0.566
WIL-UNI-354943b6-11
0.565
WIL-UNI-354943b6-5
0.562
BRU-THA-92256091-21
0.562
ALP-POS-e980f4ea-42
0.561
WIL-UNI-354943b6-14
0.558
BRU-THA-92256091-85
0.558
ALP-POS-e980f4ea-55
0.557
ALP-POS-ced8ea4d-55
0.556
BRU-THA-92256091-54
0.556
ALP-POS-ced8ea4d-42
0.556
MIC-UNK-8686cf1d-3
0.553