Molecular Properties | |
SMILES: | CC1CC(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)CCO1 |
MW: | 465.22 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 3.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-43
0.798
ALP-POS-e980f4ea-43
0.769
BRU-THA-92256091-47
0.769
BRU-THA-92256091-1
0.767
BRU-THA-92256091-69
0.760
BRU-THA-92256091-5
0.760
BRU-THA-92256091-3
0.760
BRU-THA-92256091-71
0.745
BRU-THA-92256091-10
0.743
BRU-THA-92256091-49
0.738
BRU-THA-92256091-2
0.738
BRU-THA-92256091-9
0.738
BRU-THA-92256091-13
0.738
BRU-THA-92256091-38
0.733
BRU-THA-92256091-39
0.726
BRU-THA-92256091-4
0.725
BRU-THA-92256091-33
0.720
BRU-THA-92256091-70
0.718
BRU-THA-92256091-25
0.710
BRU-THA-92256091-72
0.706
BRU-THA-92256091-50
0.706
BRU-THA-92256091-74
0.706
BRU-THA-92256091-34
0.704
BRU-THA-92256091-36
0.691
BRU-THA-92256091-82
0.685
BRU-THA-92256091-40
0.685
BRU-THA-92256091-81
0.685
BRU-THA-92256091-37
0.685
BRU-THA-92256091-46
0.679
BRU-THA-92256091-56
0.678
BRU-THA-92256091-89
0.675
BRU-THA-92256091-48
0.667
BRU-THA-92256091-73
0.667
BRU-THA-92256091-58
0.664
BRU-THA-92256091-90
0.658
BRU-THA-92256091-35
0.637
BRU-THA-92256091-45
0.635
BRU-THA-92256091-53
0.635
BRU-THA-92256091-57
0.632
ALP-POS-ced8ea4d-60
0.605
ALP-POS-ced8ea4d-66
0.596
BRU-THA-92256091-11
0.589
ALP-POS-ced8ea4d-14
0.586
ALP-POS-ced8ea4d-45
0.581
ALP-POS-e980f4ea-60
0.580
ALP-POS-ced8ea4d-22
0.579
ALP-POS-e980f4ea-66
0.579
ALP-POS-ced8ea4d-13
0.579
ALP-POS-ced8ea4d-2
0.578
ALP-POS-ced8ea4d-56
0.576
BRU-THA-92256091-7
0.573
BRU-THA-92256091-8
0.573
BRU-THA-92256091-75
0.569
ALP-POS-e980f4ea-14
0.569
BRU-THA-92256091-6
0.566
BRU-THA-92256091-91
0.566
BRU-THA-92256091-80
0.564
WIL-UNI-354943b6-12
0.564
BRU-THA-92256091-24
0.562
ALP-POS-1245c3fa-1
0.562
ALP-POS-ced8ea4d-42
0.562
ALP-POS-1245c3fa-2
0.561
WIL-UNI-354943b6-3
0.560
ALP-POS-e980f4ea-56
0.559
ALP-POS-e980f4ea-13
0.558
ALP-POS-e980f4ea-22
0.558
BRU-THA-92256091-22
0.558
BRU-THA-92256091-27
0.557
BRU-THA-92256091-32
0.557
ALP-POS-e980f4ea-42
0.555
MAT-POS-f2460aef-3
0.553
ALP-POS-e980f4ea-2
0.552
ALP-POS-e980f4ea-45
0.551
BRU-THA-92256091-79
0.550
ALP-POS-ced8ea4d-55
0.549
WIL-UNI-354943b6-6
0.549
BRU-THA-92256091-54
0.549
BRU-THA-92256091-15
0.548
BRU-THA-92256091-19
0.548
BRU-THA-92256091-20
0.547
WIL-UNI-354943b6-4
0.545
BRU-THA-92256091-55
0.545
BRU-THA-92256091-84
0.544
BRU-THA-92256091-18
0.543
WIL-UNI-354943b6-2
0.543
WIL-UNI-354943b6-10
0.543
ALP-POS-ced8ea4d-6
0.541
BRU-THA-92256091-83
0.541
ALP-POS-ced8ea4d-31
0.540
BRU-THA-92256091-30
0.538
BRU-THA-92256091-23
0.538
BRU-THA-92256091-31
0.538
BRU-THA-92256091-26
0.538
WIL-UNI-354943b6-8
0.538
BRU-THA-92256091-67
0.537
BRU-THA-92256091-66
0.537
ALP-POS-ced8ea4d-61
0.537
ALP-POS-ced8ea4d-26
0.535
BRU-THA-92256091-17
0.534
BRU-THA-92256091-14
0.534