Molecular Properties | |
SMILES: | Cn1ccc2ccc(N(C(=O)c3c[nH]cn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc21 |
MW: | 496.2 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 95.91 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-65
0.790
BRU-THA-92256091-59
0.748
BRU-THA-92256091-62
0.722
ALP-POS-1245c3fa-2
0.705
BRU-THA-92256091-61
0.700
BRU-THA-92256091-24
0.692
ALP-POS-1245c3fa-1
0.692
BRU-THA-92256091-8
0.689
BRU-THA-92256091-19
0.689
BRU-THA-92256091-60
0.688
BRU-THA-92256091-22
0.686
BRU-THA-92256091-18
0.682
MAT-POS-f2460aef-3
0.679
BRU-THA-92256091-42
0.676
BRU-THA-92256091-15
0.673
BRU-THA-92256091-85
0.673
WIL-UNI-354943b6-7
0.670
BRU-THA-92256091-67
0.667
WIL-UNI-354943b6-2
0.667
WIL-UNI-354943b6-10
0.667
BRU-THA-92256091-32
0.667
BRU-THA-92256091-63
0.661
BRU-THA-92256091-92
0.661
WIL-UNI-354943b6-1
0.661
BRU-THA-92256091-30
0.661
BRU-THA-92256091-23
0.661
BRU-THA-92256091-31
0.661
BRU-THA-92256091-79
0.655
BRU-THA-92256091-86
0.655
BRU-THA-92256091-17
0.655
BRU-THA-92256091-14
0.655
BRU-THA-92256091-20
0.655
WIL-UNI-354943b6-3
0.655
BRU-THA-92256091-16
0.655
BRU-THA-92256091-93
0.652
BRU-THA-92256091-66
0.652
BRU-THA-92256091-54
0.652
BRU-THA-92256091-51
0.649
BRU-THA-92256091-21
0.649
WIL-UNI-354943b6-5
0.649
BRU-THA-92256091-55
0.647
BRU-THA-92256091-68
0.647
BRU-THA-92256091-44
0.647
BRU-THA-92256091-52
0.643
BRU-THA-92256091-80
0.643
WIL-UNI-354943b6-12
0.643
WIL-UNI-354943b6-14
0.643
WIL-UNI-354943b6-8
0.643
WIL-UNI-354943b6-9
0.637
WIL-UNI-354943b6-11
0.635
BRU-THA-92256091-75
0.634
BRU-THA-92256091-78
0.630
BRU-THA-92256091-83
0.629
ALP-POS-ced8ea4d-20
0.629
BRU-THA-92256091-76
0.625
WIL-UNI-354943b6-6
0.624
WIL-UNI-354943b6-13
0.621
WIL-UNI-354943b6-4
0.621
BRU-THA-92256091-77
0.605
BRU-THA-92256091-84
0.603
ALP-POS-ced8ea4d-38
0.602
BRU-THA-92256091-91
0.600
ALP-POS-e980f4ea-20
0.598
BRU-THA-92256091-12
0.590
BRU-THA-92256091-11
0.583
BRU-THA-92256091-88
0.575
ALP-POS-e980f4ea-38
0.568
BRU-THA-92256091-7
0.568
BRU-THA-92256091-6
0.561
BRU-THA-92256091-33
0.555
ALP-POS-ced8ea4d-10
0.554
BRU-THA-92256091-27
0.552
ALP-POS-95f71980-37
0.546
BRU-THA-92256091-74
0.545
BRU-THA-92256091-72
0.545
ALP-POS-ced8ea4d-8
0.545
ALP-POS-305f6ec3-50
0.542
ALP-POS-ced8ea4d-27
0.539
BRU-THA-92256091-2
0.538
BRU-THA-92256091-9
0.538
ALP-POS-ced8ea4d-19
0.538
BRU-THA-92256091-13
0.538
ALP-POS-ced8ea4d-44
0.537
ALP-POS-ced8ea4d-28
0.535
ALP-POS-02c6a514-50
0.534
ALP-POS-95f71980-9
0.534
ALP-POS-ced8ea4d-67
0.534
ALP-POS-305f6ec3-33
0.534
BRU-THA-92256091-69
0.533
BRU-THA-92256091-26
0.533
BRU-THA-92256091-3
0.533
BRU-THA-92256091-5
0.533
ALP-POS-e980f4ea-10
0.533
ALP-POS-ced8ea4d-21
0.532
ALP-POS-ced8ea4d-18
0.532
ALP-POS-ced8ea4d-9
0.530
BRU-THA-92256091-37
0.528
BRU-THA-92256091-73
0.528
ALP-POS-02c6a514-22
0.526
ALP-POS-305f6ec3-46
0.526