Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc2scnc2c1 |
MW: | 500.14 |
Fraction sp3: | 0.12 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 103.87 |
cLogP: | 4.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-36
0.785
BRU-THA-92256091-51
0.783
ALP-POS-e980f4ea-36
0.766
BRU-THA-92256091-66
0.736
ALP-POS-1245c3fa-1
0.702
BRU-THA-92256091-61
0.694
BRU-THA-92256091-24
0.686
BRU-THA-92256091-62
0.685
BRU-THA-92256091-8
0.683
BRU-THA-92256091-15
0.682
ALP-POS-1245c3fa-2
0.682
BRU-THA-92256091-22
0.679
MAT-POS-f2460aef-3
0.673
BRU-THA-92256091-68
0.670
BRU-THA-92256091-19
0.667
BRU-THA-92256091-20
0.664
BRU-THA-92256091-18
0.661
WIL-UNI-354943b6-2
0.661
BRU-THA-92256091-32
0.661
WIL-UNI-354943b6-10
0.661
BRU-THA-92256091-65
0.658
BRU-THA-92256091-63
0.655
BRU-THA-92256091-42
0.655
BRU-THA-92256091-31
0.655
BRU-THA-92256091-23
0.655
BRU-THA-92256091-30
0.655
BRU-THA-92256091-59
0.649
WIL-UNI-354943b6-7
0.649
BRU-THA-92256091-14
0.649
BRU-THA-92256091-16
0.649
BRU-THA-92256091-17
0.649
WIL-UNI-354943b6-3
0.649
BRU-THA-92256091-67
0.647
BRU-THA-92256091-54
0.647
BRU-THA-92256091-64
0.643
WIL-UNI-354943b6-5
0.643
BRU-THA-92256091-21
0.643
BRU-THA-92256091-55
0.641
BRU-THA-92256091-78
0.639
BRU-THA-92256091-60
0.638
WIL-UNI-354943b6-8
0.637
WIL-UNI-354943b6-12
0.637
WIL-UNI-354943b6-14
0.637
BRU-THA-92256091-80
0.637
BRU-THA-92256091-85
0.637
BRU-THA-92256091-79
0.635
WIL-UNI-354943b6-9
0.632
WIL-UNI-354943b6-4
0.629
BRU-THA-92256091-75
0.628
BRU-THA-92256091-44
0.627
WIL-UNI-354943b6-1
0.626
BRU-THA-92256091-86
0.621
BRU-THA-92256091-76
0.620
WIL-UNI-354943b6-13
0.615
WIL-UNI-354943b6-11
0.615
BRU-THA-92256091-92
0.613
ALP-POS-ced8ea4d-24
0.610
BRU-THA-92256091-83
0.610
BRU-THA-92256091-91
0.608
BRU-THA-92256091-93
0.605
WIL-UNI-354943b6-6
0.605
BRU-THA-92256091-84
0.598
BRU-THA-92256091-12
0.598
ALP-POS-e980f4ea-24
0.593
BRU-THA-92256091-11
0.593
BRU-THA-92256091-77
0.587
ALP-POS-ced8ea4d-65
0.582
BRU-THA-92256091-7
0.577
ALP-POS-e980f4ea-65
0.562
BRU-THA-92256091-88
0.557
ALP-POS-ced8ea4d-10
0.549
BRU-THA-92256091-2
0.547
BRU-THA-92256091-27
0.547
BRU-THA-92256091-6
0.543
BRU-THA-92256091-9
0.534
BRU-THA-92256091-13
0.534
BRU-THA-92256091-1
0.533
BRU-THA-92256091-38
0.533
BRU-THA-92256091-35
0.533
ALP-POS-305f6ec3-33
0.529
BRU-THA-92256091-10
0.529
BRU-THA-92256091-39
0.529
BRU-THA-92256091-69
0.529
BRU-THA-92256091-29
0.528
ALP-POS-e980f4ea-10
0.528
WIL-UNI-de614146-7
0.526
ALP-POS-ced8ea4d-9
0.525
ALP-POS-95f71980-23
0.525
BRU-THA-92256091-28
0.525
BRU-THA-92256091-33
0.525
ALP-POS-ced8ea4d-27
0.521
PET-UNK-48ab5cd7-3
0.521
ALP-POS-305f6ec3-3
0.521
BRU-THA-92256091-71
0.520
ALP-POS-ced8ea4d-38
0.520
ALP-POS-ced8ea4d-20
0.520
BRU-THA-92256091-47
0.520
ALP-POS-ced8ea4d-28
0.517
ALP-POS-95f71980-17
0.517
ALP-POS-305f6ec3-14
0.517