Molecular Properties | |
SMILES: | Cn1cnc2ccc(N(C(=O)c3c[nH]cn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc21 |
MW: | 497.2 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 108.8 |
cLogP: | 3.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-61
0.796
BRU-THA-92256091-64
0.722
BRU-THA-92256091-59
0.713
BRU-THA-92256091-51
0.706
BRU-THA-92256091-65
0.706
BRU-THA-92256091-24
0.706
ALP-POS-1245c3fa-1
0.706
BRU-THA-92256091-8
0.703
ALP-POS-1245c3fa-2
0.702
BRU-THA-92256091-22
0.699
WIL-UNI-354943b6-7
0.698
BRU-THA-92256091-67
0.694
MAT-POS-f2460aef-3
0.692
BRU-THA-92256091-15
0.686
BRU-THA-92256091-19
0.686
BRU-THA-92256091-60
0.685
BRU-THA-92256091-52
0.685
WIL-UNI-354943b6-3
0.682
WIL-UNI-354943b6-2
0.679
WIL-UNI-354943b6-10
0.679
BRU-THA-92256091-18
0.679
BRU-THA-92256091-32
0.679
BRU-THA-92256091-66
0.679
BRU-THA-92256091-30
0.673
BRU-THA-92256091-23
0.673
BRU-THA-92256091-31
0.673
BRU-THA-92256091-42
0.673
WIL-UNI-354943b6-1
0.673
BRU-THA-92256091-63
0.673
BRU-THA-92256091-68
0.673
WIL-UNI-354943b6-8
0.670
WIL-UNI-354943b6-14
0.670
BRU-THA-92256091-85
0.670
BRU-THA-92256091-20
0.667
BRU-THA-92256091-14
0.667
BRU-THA-92256091-16
0.667
BRU-THA-92256091-17
0.667
BRU-THA-92256091-21
0.661
WIL-UNI-354943b6-5
0.661
BRU-THA-92256091-55
0.658
WIL-UNI-354943b6-12
0.655
BRU-THA-92256091-80
0.655
BRU-THA-92256091-79
0.652
BRU-THA-92256091-86
0.652
BRU-THA-92256091-54
0.649
WIL-UNI-354943b6-9
0.649
BRU-THA-92256091-75
0.645
BRU-THA-92256091-92
0.643
BRU-THA-92256091-44
0.643
BRU-THA-92256091-78
0.641
BRU-THA-92256091-93
0.635
ALP-POS-ced8ea4d-10
0.632
WIL-UNI-354943b6-4
0.632
WIL-UNI-354943b6-11
0.632
WIL-UNI-354943b6-13
0.632
BRU-THA-92256091-83
0.626
BRU-THA-92256091-76
0.622
WIL-UNI-354943b6-6
0.621
BRU-THA-92256091-77
0.615
BRU-THA-92256091-91
0.610
BRU-THA-92256091-11
0.610
ALP-POS-e980f4ea-10
0.609
BRU-THA-92256091-84
0.600
BRU-THA-92256091-88
0.598
BRU-THA-92256091-12
0.586
BRU-THA-92256091-7
0.578
ALP-POS-305f6ec3-12
0.574
ALP-POS-ced8ea4d-38
0.571
ALP-POS-02c6a514-22
0.562
ALP-POS-ced8ea4d-20
0.558
ALP-POS-ced8ea4d-24
0.558
BRU-THA-92256091-6
0.558
ALP-POS-305f6ec3-33
0.557
ALP-POS-ced8ea4d-21
0.554
BRU-THA-92256091-33
0.551
ALP-POS-305f6ec3-46
0.549
ALP-POS-ced8ea4d-27
0.549
BRU-THA-92256091-2
0.548
BRU-THA-92256091-9
0.548
BRU-THA-92256091-13
0.548
BRU-THA-92256091-27
0.548
ALP-POS-ced8ea4d-65
0.545
ALP-POS-ced8ea4d-28
0.545
ALP-POS-02c6a514-50
0.544
ALP-POS-95f71980-37
0.542
ALP-POS-ced8ea4d-36
0.541
ALP-POS-ced8ea4d-8
0.541
ALP-POS-ced8ea4d-18
0.540
ALP-POS-ced8ea4d-9
0.539
ALP-POS-305f6ec3-50
0.538
ALP-UNI-fe744232-14
0.538
BRU-THA-92256091-28
0.538
ALP-POS-e980f4ea-38
0.538
ALP-POS-305f6ec3-27
0.535
ALP-UNI-fe744232-18
0.534
ALP-POS-ced8ea4d-19
0.534
BRU-THA-92256091-1
0.534
BRU-THA-92256091-38
0.534
ALP-UNI-fe744232-9
0.534
ALP-POS-ced8ea4d-44
0.533