Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 521.15 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 125.12 |
cLogP: | 3.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-14
0.840
ALP-POS-1245c3fa-1
0.835
BRU-THA-92256091-20
0.821
BRU-THA-92256091-24
0.815
BRU-THA-92256091-22
0.806
MAT-POS-f2460aef-3
0.798
BRU-THA-92256091-8
0.793
BRU-THA-92256091-23
0.792
BRU-THA-92256091-19
0.789
BRU-THA-92256091-83
0.782
WIL-UNI-354943b6-2
0.781
WIL-UNI-354943b6-10
0.781
BRU-THA-92256091-18
0.781
ALP-POS-ced8ea4d-9
0.771
BRU-THA-92256091-16
0.765
WIL-UNI-354943b6-3
0.765
WIL-UNI-354943b6-7
0.765
BRU-THA-92256091-17
0.765
BRU-THA-92256091-32
0.763
BRU-THA-92256091-21
0.758
WIL-UNI-354943b6-5
0.758
WIL-UNI-354943b6-12
0.750
BRU-THA-92256091-80
0.750
BRU-THA-92256091-85
0.750
WIL-UNI-354943b6-8
0.750
WIL-UNI-354943b6-14
0.750
WIL-UNI-354943b6-9
0.743
WIL-UNI-354943b6-1
0.735
ALP-POS-e980f4ea-9
0.732
BRU-THA-92256091-86
0.728
WIL-UNI-354943b6-4
0.721
WIL-UNI-354943b6-13
0.721
WIL-UNI-354943b6-11
0.721
BRU-THA-92256091-30
0.720
BRU-THA-92256091-31
0.720
ALP-POS-1245c3fa-2
0.717
WIL-UNI-354943b6-6
0.708
BRU-THA-92256091-93
0.708
BRU-THA-92256091-61
0.695
BRU-THA-92256091-91
0.694
BRU-THA-92256091-75
0.689
BRU-THA-92256091-62
0.686
BRU-THA-92256091-42
0.686
BRU-THA-92256091-44
0.685
BRU-THA-92256091-52
0.682
BRU-THA-92256091-84
0.682
BRU-THA-92256091-59
0.679
BRU-THA-92256091-66
0.676
BRU-THA-92256091-65
0.673
BRU-THA-92256091-51
0.673
BRU-THA-92256091-64
0.673
BRU-THA-92256091-68
0.670
BRU-THA-92256091-60
0.667
BRU-THA-92256091-79
0.664
BRU-THA-92256091-67
0.661
BRU-THA-92256091-54
0.661
BRU-THA-92256091-55
0.655
BRU-THA-92256091-63
0.655
BRU-THA-92256091-11
0.653
BRU-THA-92256091-7
0.650
ALP-POS-ced8ea4d-5
0.648
BRU-THA-92256091-76
0.646
BRU-THA-92256091-92
0.640
BRU-THA-92256091-78
0.637
ALP-POS-ced8ea4d-11
0.632
ALP-POS-ced8ea4d-27
0.631
ALP-POS-95f71980-36
0.626
ALP-POS-02c6a514-50
0.625
BRU-THA-92256091-12
0.624
ALP-POS-305f6ec3-33
0.623
ALP-POS-ced8ea4d-52
0.617
ALP-UNI-fe744232-18
0.613
ALP-POS-ced8ea4d-19
0.613
ALP-POS-e980f4ea-5
0.613
ALP-POS-ced8ea4d-28
0.612
BRU-THA-92256091-77
0.610
BRU-THA-92256091-6
0.610
ALP-POS-305f6ec3-48
0.610
ALP-POS-305f6ec3-14
0.610
ALP-UNI-fe744232-3
0.607
ALP-POS-ced8ea4d-67
0.607
BRU-THA-92256091-88
0.607
ALP-POS-ced8ea4d-17
0.607
WIL-UNI-de614146-7
0.606
ALP-UNI-fe744232-14
0.602
ALP-UNI-fe744232-22
0.600
ALP-POS-305f6ec3-46
0.600
PET-UNK-48ab5cd7-3
0.600
WIL-UNI-de614146-1
0.598
BRU-THA-92256091-2
0.598
ALP-POS-e980f4ea-11
0.598
BRU-THA-92256091-27
0.598
ALP-POS-ced8ea4d-51
0.596
ALP-POS-ced8ea4d-12
0.596
ALP-UNI-fe744232-9
0.596
ALP-POS-95f71980-17
0.596
PET-UNK-48ab5cd7-1
0.594
ALP-POS-ced8ea4d-37
0.593
ALP-UNI-fe744232-12
0.591
ALP-POS-ced8ea4d-62
0.591