Molecular Properties | |
SMILES: | Cc1nc2cc(N(C(=O)c3c[nH]cn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc2s1 |
MW: | 514.16 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 103.87 |
cLogP: | 4.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-65
0.796
ALP-POS-e980f4ea-65
0.776
BRU-THA-92256091-52
0.736
ALP-POS-1245c3fa-1
0.695
BRU-THA-92256091-24
0.695
BRU-THA-92256091-68
0.693
BRU-THA-92256091-61
0.688
BRU-THA-92256091-51
0.681
BRU-THA-92256091-62
0.679
BRU-THA-92256091-8
0.676
BRU-THA-92256091-15
0.676
ALP-POS-1245c3fa-2
0.676
BRU-THA-92256091-19
0.676
BRU-THA-92256091-22
0.673
BRU-THA-92256091-67
0.670
MAT-POS-f2460aef-3
0.667
BRU-THA-92256091-65
0.667
BRU-THA-92256091-63
0.664
BRU-THA-92256091-42
0.664
BRU-THA-92256091-59
0.658
WIL-UNI-354943b6-7
0.658
BRU-THA-92256091-16
0.658
BRU-THA-92256091-17
0.658
BRU-THA-92256091-20
0.658
WIL-UNI-354943b6-2
0.655
WIL-UNI-354943b6-10
0.655
BRU-THA-92256091-32
0.655
BRU-THA-92256091-18
0.655
BRU-THA-92256091-64
0.652
BRU-THA-92256091-55
0.650
BRU-THA-92256091-23
0.649
BRU-THA-92256091-31
0.649
BRU-THA-92256091-30
0.649
BRU-THA-92256091-60
0.647
WIL-UNI-354943b6-12
0.646
WIL-UNI-354943b6-3
0.643
BRU-THA-92256091-14
0.643
BRU-THA-92256091-54
0.641
WIL-UNI-354943b6-4
0.638
BRU-THA-92256091-75
0.637
BRU-THA-92256091-21
0.637
WIL-UNI-354943b6-5
0.637
WIL-UNI-354943b6-8
0.632
WIL-UNI-354943b6-14
0.632
BRU-THA-92256091-80
0.632
BRU-THA-92256091-85
0.632
BRU-THA-92256091-79
0.629
WIL-UNI-354943b6-9
0.626
BRU-THA-92256091-44
0.622
WIL-UNI-354943b6-1
0.621
BRU-THA-92256091-78
0.620
BRU-THA-92256091-83
0.619
BRU-THA-92256091-86
0.615
BRU-THA-92256091-76
0.615
WIL-UNI-354943b6-6
0.613
WIL-UNI-354943b6-11
0.610
WIL-UNI-354943b6-13
0.610
BRU-THA-92256091-92
0.608
BRU-THA-92256091-84
0.607
BRU-THA-92256091-91
0.603
BRU-THA-92256091-93
0.600
BRU-THA-92256091-12
0.593
BRU-THA-92256091-77
0.583
ALP-POS-ced8ea4d-36
0.574
BRU-THA-92256091-11
0.573
ALP-POS-e980f4ea-36
0.570
BRU-THA-92256091-33
0.558
BRU-THA-92256091-7
0.558
BRU-THA-92256091-88
0.553
ALP-POS-ced8ea4d-10
0.545
BRU-THA-92256091-13
0.542
BRU-THA-92256091-27
0.542
BRU-THA-92256091-9
0.542
BRU-THA-92256091-1
0.542
BRU-THA-92256091-6
0.538
BRU-THA-92256091-10
0.537
BRU-THA-92256091-29
0.537
ALP-POS-e980f4ea-10
0.537
WIL-UNI-de614146-7
0.534
ALP-POS-e980f4ea-27
0.530
ALP-POS-ced8ea4d-27
0.530
BRU-THA-92256091-2
0.529
BRU-THA-92256091-38
0.529
ALP-POS-ced8ea4d-20
0.528
ALP-POS-ced8ea4d-24
0.528
ALP-POS-ced8ea4d-38
0.528
ALP-POS-305f6ec3-14
0.525
ALP-POS-305f6ec3-28
0.525
ALP-POS-305f6ec3-33
0.525
BRU-THA-92256091-3
0.525
BRU-THA-92256091-5
0.525
BRU-THA-92256091-69
0.525
BRU-THA-92256091-25
0.525
BRU-THA-92256091-26
0.525
BRU-THA-92256091-50
0.524
ALP-POS-e980f4ea-24
0.524
BRU-THA-92256091-41
0.524
BRU-THA-92256091-49
0.524
ALP-POS-ced8ea4d-21
0.524
ALP-POS-ced8ea4d-18
0.523