Molecular Properties | |
SMILES: | Cn1ncc2ccc(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
ALP-POS-ced8ea4d-38
0.808
BRU-THA-92256091-60
0.790
ALP-POS-e980f4ea-38
0.769
BRU-THA-92256091-64
0.748
BRU-THA-92256091-62
0.713
WIL-UNI-354943b6-2
0.705
BRU-THA-92256091-65
0.700
ALP-POS-1245c3fa-1
0.699
BRU-THA-92256091-24
0.699
BRU-THA-92256091-8
0.696
ALP-POS-1245c3fa-2
0.695
BRU-THA-92256091-19
0.695
BRU-THA-92256091-22
0.692
BRU-THA-92256091-61
0.691
BRU-THA-92256091-18
0.689
MAT-POS-f2460aef-3
0.686
BRU-THA-92256091-15
0.679
BRU-THA-92256091-85
0.679
WIL-UNI-354943b6-3
0.676
WIL-UNI-354943b6-7
0.676
WIL-UNI-354943b6-10
0.673
BRU-THA-92256091-32
0.673
BRU-THA-92256091-51
0.670
BRU-THA-92256091-30
0.667
BRU-THA-92256091-42
0.667
BRU-THA-92256091-31
0.667
BRU-THA-92256091-23
0.667
WIL-UNI-354943b6-8
0.664
WIL-UNI-354943b6-14
0.664
BRU-THA-92256091-86
0.661
BRU-THA-92256091-14
0.661
BRU-THA-92256091-16
0.661
BRU-THA-92256091-20
0.661
BRU-THA-92256091-17
0.661
BRU-THA-92256091-66
0.658
BRU-THA-92256091-67
0.658
WIL-UNI-354943b6-9
0.658
WIL-UNI-354943b6-5
0.655
BRU-THA-92256091-21
0.655
BRU-THA-92256091-63
0.652
BRU-THA-92256091-68
0.652
WIL-UNI-354943b6-1
0.652
BRU-THA-92256091-52
0.649
WIL-UNI-354943b6-12
0.649
BRU-THA-92256091-80
0.649
BRU-THA-92256091-79
0.646
BRU-THA-92256091-54
0.643
WIL-UNI-354943b6-11
0.640
BRU-THA-92256091-75
0.640
BRU-THA-92256091-44
0.638
BRU-THA-92256091-55
0.638
BRU-THA-92256091-92
0.638
BRU-THA-92256091-78
0.636
BRU-THA-92256091-76
0.630
BRU-THA-92256091-93
0.629
ALP-POS-ced8ea4d-8
0.629
WIL-UNI-354943b6-4
0.626
WIL-UNI-354943b6-13
0.626
BRU-THA-92256091-83
0.621
WIL-UNI-354943b6-6
0.615
BRU-THA-92256091-77
0.610
BRU-THA-92256091-12
0.609
BRU-THA-92256091-91
0.605
ALP-POS-e980f4ea-8
0.603
BRU-THA-92256091-84
0.595
BRU-THA-92256091-11
0.589
BRU-THA-92256091-88
0.580
BRU-THA-92256091-7
0.573
BRU-THA-92256091-6
0.566
ALP-POS-ced8ea4d-20
0.554
ALP-POS-305f6ec3-33
0.552
ALP-UNI-fe744232-3
0.552
BRU-THA-92256091-72
0.550
BRU-THA-92256091-74
0.550
BRU-THA-92256091-33
0.546
ALP-POS-ced8ea4d-10
0.545
ALP-POS-305f6ec3-46
0.544
ALP-POS-ced8ea4d-27
0.544
ALP-POS-ced8ea4d-19
0.543
BRU-THA-92256091-9
0.543
BRU-THA-92256091-13
0.543
BRU-THA-92256091-27
0.543
BRU-THA-92256091-2
0.543
ALP-POS-ced8ea4d-28
0.540
ALP-POS-02c6a514-50
0.539
ALP-POS-ced8ea4d-67
0.538
ALP-POS-95f71980-37
0.538
BRU-THA-92256091-50
0.537
ALP-POS-e980f4ea-10
0.537
ALP-POS-e980f4ea-20
0.537
ALP-POS-ced8ea4d-9
0.534
ALP-POS-e980f4ea-67
0.534
ALP-POS-95f71980-23
0.534
ALP-POS-305f6ec3-50
0.534
BRU-THA-92256091-73
0.532
ALP-POS-e980f4ea-27
0.531
ALP-POS-e980f4ea-19
0.530
ALP-POS-305f6ec3-27
0.530
PET-UNK-48ab5cd7-3
0.530
ALP-UNI-fe744232-18
0.530