Molecular Properties | |
SMILES: | CO[C@H]1CC[C@H](N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)C1 |
MW: | 465.22 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 100.21 |
cLogP: | 3.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-3
1.000
BRU-THA-92256091-25
0.782
BRU-THA-92256091-69
0.782
BRU-THA-92256091-4
0.779
BRU-THA-92256091-37
0.769
BRU-THA-92256091-71
0.767
BRU-THA-92256091-2
0.760
BRU-THA-92256091-9
0.760
BRU-THA-92256091-13
0.760
BRU-THA-92256091-29
0.760
BRU-THA-92256091-38
0.755
BRU-THA-92256091-81
0.752
BRU-THA-92256091-82
0.752
BRU-THA-92256091-33
0.740
BRU-THA-92256091-1
0.738
BRU-THA-92256091-10
0.731
BRU-THA-92256091-39
0.731
BRU-THA-92256091-47
0.725
BRU-THA-92256091-34
0.724
BRU-THA-92256091-36
0.710
BRU-THA-92256091-72
0.710
BRU-THA-92256091-49
0.710
BRU-THA-92256091-50
0.710
BRU-THA-92256091-74
0.710
BRU-THA-92256091-70
0.706
BRU-THA-92256091-46
0.697
BRU-THA-92256091-89
0.694
BRU-THA-92256091-40
0.688
BRU-THA-92256091-73
0.685
BRU-THA-92256091-90
0.675
BRU-THA-92256091-48
0.670
BRU-THA-92256091-56
0.667
BRU-THA-92256091-58
0.667
BRU-THA-92256091-35
0.640
BRU-THA-92256091-53
0.637
BRU-THA-92256091-45
0.637
BRU-THA-92256091-57
0.634
BRU-THA-92256091-11
0.621
ALP-POS-ced8ea4d-43
0.600
BRU-THA-92256091-6
0.596
ALP-POS-ced8ea4d-6
0.595
BRU-THA-92256091-19
0.591
ALP-POS-ced8ea4d-55
0.590
BRU-THA-92256091-7
0.589
BRU-THA-92256091-8
0.589
ALP-POS-e980f4ea-6
0.588
BRU-THA-92256091-22
0.587
BRU-THA-92256091-32
0.586
BRU-THA-92256091-18
0.586
BRU-THA-92256091-75
0.584
ALP-POS-ced8ea4d-45
0.583
BRU-THA-92256091-23
0.580
ALP-POS-ced8ea4d-13
0.580
ALP-POS-ced8ea4d-22
0.580
BRU-THA-92256091-31
0.580
ALP-POS-ced8ea4d-2
0.579
BRU-THA-92256091-24
0.578
ALP-POS-1245c3fa-1
0.578
ALP-POS-e980f4ea-55
0.578
ALP-POS-1245c3fa-2
0.577
ALP-POS-ced8ea4d-14
0.574
ALP-POS-e980f4ea-43
0.574
ALP-POS-e980f4ea-22
0.573
ALP-POS-e980f4ea-13
0.573
BRU-THA-92256091-27
0.571
ALP-POS-ced8ea4d-66
0.570
MAT-POS-f2460aef-3
0.568
ALP-POS-ced8ea4d-60
0.567
ALP-POS-e980f4ea-2
0.566
BRU-THA-92256091-30
0.566
WIL-UNI-354943b6-14
0.565
BRU-THA-92256091-26
0.565
BRU-THA-92256091-80
0.565
BRU-THA-92256091-15
0.562
WIL-UNI-354943b6-3
0.561
BRU-THA-92256091-17
0.561
BRU-THA-92256091-16
0.561
BRU-THA-92256091-28
0.560
WIL-UNI-354943b6-10
0.558
WIL-UNI-354943b6-2
0.558
BRU-THA-92256091-84
0.557
BRU-THA-92256091-21
0.557
ALP-POS-e980f4ea-14
0.557
BRU-THA-92256091-12
0.556
BRU-THA-92256091-83
0.555
BRU-THA-92256091-91
0.554
ALP-POS-e980f4ea-66
0.553
ALP-POS-e980f4ea-45
0.552
WIL-UNI-354943b6-8
0.552
WIL-UNI-354943b6-12
0.552
BRU-THA-92256091-41
0.551
ALP-POS-ced8ea4d-56
0.551
BRU-THA-92256091-79
0.551
WIL-UNI-354943b6-6
0.550
ALP-POS-ced8ea4d-42
0.550
WIL-UNI-354943b6-7
0.548
BRU-THA-92256091-14
0.548
BRU-THA-92256091-20
0.548
WIL-UNI-354943b6-9
0.547
WIL-UNI-354943b6-11
0.546