Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2csnn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 517.19 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.08 |
cLogP: | 5.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-95f71980-17
0.793
ALP-POS-95f71980-23
0.760
PET-UNK-48ab5cd7-3
0.758
ALP-POS-305f6ec3-14
0.750
ALP-POS-305f6ec3-48
0.750
LON-WEI-2e27a2e5-2
0.750
ALP-POS-95f71980-25
0.750
ALP-POS-95f71980-24
0.750
ALP-POS-95f71980-4
0.747
ALP-POS-02c6a514-11
0.742
ALP-POS-305f6ec3-46
0.740
ALP-POS-02c6a514-50
0.732
MAT-POS-f2460aef-5
0.732
MAT-POS-f2460aef-3
0.732
ALP-POS-02c6a514-26
0.726
ALP-POS-95f71980-21
0.726
ALP-POS-95f71980-2
0.719
ALP-POS-305f6ec3-38
0.717
PET-UNK-48ab5cd7-1
0.714
ALP-POS-305f6ec3-33
0.710
ALP-POS-305f6ec3-28
0.710
MAT-POS-f2460aef-1
0.708
LON-WEI-2e27a2e5-1
0.708
MAT-POS-f2460aef-2
0.708
ALP-POS-305f6ec3-2
0.707
ALP-POS-95f71980-29
0.707
ALP-POS-305f6ec3-41
0.704
ALP-POS-305f6ec3-54
0.703
ALP-POS-305f6ec3-50
0.703
ALP-POS-02c6a514-25
0.697
ALP-POS-95f71980-22
0.697
ALP-POS-02c6a514-49
0.697
ALP-POS-305f6ec3-12
0.696
ALP-POS-02c6a514-12
0.694
ALP-POS-02c6a514-52
0.694
ALP-POS-305f6ec3-59
0.694
ALP-POS-305f6ec3-49
0.694
ALP-POS-95f71980-6
0.690
ALP-POS-02c6a514-33
0.690
PAU-WEI-5b8d5051-1
0.688
PAU-WEI-5b8d5051-2
0.688
LON-WEI-adc59df6-47
0.688
LON-POS-586a7c45-1
0.688
ALP-POS-02c6a514-22
0.687
ALP-POS-305f6ec3-27
0.687
ALP-POS-305f6ec3-44
0.687
PET-UNK-48ab5cd7-2
0.687
ALP-POS-305f6ec3-19
0.686
ALP-POS-305f6ec3-10
0.686
ALP-POS-305f6ec3-52
0.683
ALP-POS-305f6ec3-3
0.683
ALP-POS-305f6ec3-40
0.683
ALP-POS-02c6a514-46
0.680
ALP-POS-02c6a514-6
0.680
MAT-POS-f2460aef-4
0.680
ALP-POS-305f6ec3-6
0.680
ALP-POS-305f6ec3-55
0.680
ALP-POS-305f6ec3-57
0.676
ALP-POS-02c6a514-45
0.676
PET-UNK-7d68125a-4
0.673
ALP-POS-305f6ec3-56
0.673
ALP-POS-02c6a514-40
0.670
PET-UNK-7d68125a-3
0.667
ALP-POS-305f6ec3-39
0.667
ALP-POS-305f6ec3-37
0.667
WIL-UNI-354943b6-10
0.667
ALP-UNI-fe744232-18
0.667
PET-UNK-7d68125a-2
0.667
ALP-POS-95f71980-11
0.664
ALP-POS-305f6ec3-1
0.664
ALP-POS-305f6ec3-23
0.663
JOE-NOR-4e4adc6b-1
0.660
ALP-POS-305f6ec3-17
0.657
ALP-POS-305f6ec3-21
0.655
ALP-POS-305f6ec3-20
0.654
ALP-POS-95f71980-18
0.654
PET-UNK-7d68125a-1
0.653
ALP-POS-305f6ec3-42
0.651
ALP-POS-305f6ec3-4
0.648
ALP-POS-95f71980-36
0.648
ALP-POS-305f6ec3-35
0.648
ALP-UNI-c3ef0aba-3
0.647
ALP-POS-305f6ec3-51
0.642
ALP-POS-305f6ec3-5
0.639
ALP-POS-305f6ec3-9
0.634
ALP-POS-305f6ec3-53
0.634
ALP-POS-305f6ec3-36
0.633
ALP-POS-305f6ec3-11
0.632
ALP-POS-305f6ec3-13
0.628
ALP-POS-305f6ec3-16
0.624
ALP-POS-305f6ec3-45
0.624
ALP-POS-95f71980-19
0.623
ALP-POS-02c6a514-17
0.623
ALP-POS-02c6a514-51
0.623
ALP-POS-305f6ec3-18
0.618
ALP-POS-305f6ec3-7
0.618
ALP-POS-305f6ec3-43
0.615
ALP-POS-305f6ec3-32
0.611
ALP-POS-305f6ec3-8
0.611
ALP-POS-305f6ec3-15
0.609