Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)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
ALP-POS-e980f4ea-24
0.781
BRU-THA-92256091-52
0.766
ALP-POS-ced8ea4d-36
0.727
ALP-POS-e980f4ea-65
0.725
ALP-POS-e980f4ea-10
0.685
ALP-POS-e980f4ea-27
0.673
ALP-POS-e980f4ea-28
0.670
ALP-POS-e980f4ea-9
0.670
ALP-POS-e980f4ea-67
0.657
ALP-POS-e980f4ea-37
0.657
ALP-POS-e980f4ea-18
0.655
ALP-POS-e980f4ea-19
0.654
ALP-POS-e980f4ea-11
0.651
ALP-POS-e980f4ea-39
0.651
ALP-POS-e980f4ea-49
0.651
ALP-POS-e980f4ea-44
0.643
ALP-POS-e980f4ea-52
0.642
ALP-POS-e980f4ea-20
0.640
ALP-POS-e980f4ea-21
0.640
ALP-POS-e980f4ea-38
0.637
ALP-POS-e980f4ea-5
0.636
ALP-POS-e980f4ea-51
0.636
ALP-POS-e980f4ea-12
0.636
ALP-POS-e980f4ea-53
0.635
ALP-POS-e980f4ea-47
0.629
ALP-POS-e980f4ea-8
0.626
ALP-POS-e980f4ea-62
0.625
ALP-POS-e980f4ea-63
0.625
ALP-POS-e980f4ea-59
0.623
ALP-POS-e980f4ea-1
0.622
ALP-POS-e980f4ea-25
0.619
ALP-POS-e980f4ea-50
0.615
ALP-POS-e980f4ea-16
0.609
ALP-POS-e980f4ea-15
0.602
ALP-POS-e980f4ea-34
0.600
ALP-POS-e980f4ea-17
0.598
BRU-THA-92256091-51
0.593
ALP-POS-e980f4ea-32
0.587
ALP-POS-e980f4ea-30
0.576
ALP-POS-e980f4ea-7
0.574
BRU-THA-92256091-66
0.570
ALP-POS-ced8ea4d-24
0.562
ALP-POS-e980f4ea-64
0.559
ALP-POS-e980f4ea-35
0.554
ALP-POS-e980f4ea-22
0.539
ALP-POS-e980f4ea-13
0.539
ALP-POS-ced8ea4d-65
0.536
ALP-POS-e980f4ea-54
0.535
ALP-POS-e980f4ea-41
0.534
ALP-POS-305f6ec3-59
0.530
ALP-POS-1245c3fa-1
0.530
PET-UNK-48ab5cd7-2
0.526
ALP-POS-305f6ec3-3
0.525
ALP-POS-02c6a514-49
0.521
ALP-POS-e980f4ea-66
0.521
ALP-POS-e980f4ea-2
0.521
ALP-POS-e980f4ea-29
0.521
ALP-POS-e980f4ea-45
0.521
BRU-THA-92256091-61
0.520
ALP-POS-02c6a514-52
0.517
BRU-THA-92256091-24
0.517
BRU-THA-92256091-15
0.517
ALP-POS-95f71980-23
0.517
ALP-POS-e980f4ea-43
0.516
ALP-POS-e980f4ea-56
0.516
BRU-THA-92256091-63
0.516
BRU-THA-92256091-8
0.513
ALP-POS-02c6a514-22
0.513
BRU-THA-92256091-22
0.513
ALP-POS-305f6ec3-41
0.513
ALP-POS-780445ae-6
0.513
ALP-POS-305f6ec3-52
0.513
ALP-POS-e980f4ea-40
0.512
ALP-POS-e980f4ea-14
0.512
ALP-POS-e980f4ea-42
0.512
BRU-THA-92256091-62
0.512
ALP-POS-e980f4ea-60
0.512
ALP-POS-95f71980-2
0.509
ALP-POS-02c6a514-46
0.508
MAT-POS-f2460aef-3
0.508
ALP-POS-b0bc6a46-6
0.508
ALP-POS-e980f4ea-58
0.508
ALP-POS-02c6a514-7
0.508
BRU-THA-92256091-19
0.504
ALP-POS-95f71980-29
0.504
ALP-POS-305f6ec3-2
0.504
ALP-POS-1245c3fa-2
0.504
BRU-THA-92256091-20
0.504
ALP-POS-e980f4ea-46
0.504
ALP-POS-e980f4ea-6
0.504
BRU-THA-92256091-68
0.504
ALP-POS-95f71980-21
0.500
BRU-THA-92256091-18
0.500
BRU-THA-92256091-32
0.500
ALP-POS-e980f4ea-23
0.500
ALP-POS-e980f4ea-33
0.500
ALP-POS-305f6ec3-39
0.500
PET-UNK-48ab5cd7-3
0.500
LON-WEI-2e27a2e5-2
0.500
WIL-UNI-354943b6-2
0.500