Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccsn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 516.2 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.19 |
cLogP: | 5.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-95f71980-7
0.793
ALP-POS-95f71980-24
0.793
LON-WEI-2e27a2e5-2
0.775
ALP-POS-95f71980-4
0.772
ALP-POS-305f6ec3-28
0.768
ALP-POS-305f6ec3-33
0.768
ALP-POS-02c6a514-11
0.767
ALP-POS-95f71980-23
0.766
ALP-POS-305f6ec3-2
0.766
ALP-POS-305f6ec3-46
0.763
PET-UNK-48ab5cd7-3
0.763
ALP-POS-95f71980-25
0.755
MAT-POS-f2460aef-3
0.755
ALP-POS-02c6a514-50
0.755
ALP-POS-305f6ec3-48
0.755
ALP-POS-305f6ec3-14
0.755
ALP-POS-305f6ec3-59
0.753
ALP-POS-02c6a514-26
0.750
ALP-POS-305f6ec3-50
0.742
ALP-POS-95f71980-2
0.742
ALP-POS-305f6ec3-38
0.740
ALP-POS-02c6a514-49
0.737
PET-UNK-48ab5cd7-1
0.737
MAT-POS-f2460aef-5
0.737
ALP-POS-305f6ec3-12
0.735
ALP-POS-305f6ec3-49
0.734
LON-WEI-2e27a2e5-1
0.731
MAT-POS-f2460aef-1
0.731
ALP-POS-95f71980-21
0.731
MAT-POS-f2460aef-2
0.731
ALP-POS-305f6ec3-41
0.726
ALP-POS-305f6ec3-27
0.726
ALP-POS-305f6ec3-54
0.724
ALP-POS-305f6ec3-52
0.722
ALP-POS-305f6ec3-39
0.722
ALP-POS-305f6ec3-6
0.719
ALP-POS-02c6a514-25
0.719
ALP-POS-02c6a514-46
0.719
ALP-POS-02c6a514-12
0.716
ALP-POS-02c6a514-52
0.716
ALP-POS-305f6ec3-57
0.714
ALP-POS-02c6a514-33
0.711
ALP-POS-95f71980-6
0.711
ALP-POS-305f6ec3-56
0.711
ALP-POS-95f71980-29
0.711
PAU-WEI-5b8d5051-1
0.710
PAU-WEI-5b8d5051-2
0.710
LON-WEI-adc59df6-47
0.710
LON-POS-586a7c45-1
0.710
ALP-POS-02c6a514-22
0.708
PET-UNK-48ab5cd7-2
0.708
ALP-POS-305f6ec3-44
0.708
ALP-POS-95f71980-18
0.707
ALP-POS-305f6ec3-3
0.704
ALP-POS-02c6a514-6
0.701
MAT-POS-f2460aef-4
0.701
ALP-POS-95f71980-22
0.701
ALP-POS-305f6ec3-55
0.701
ALP-POS-305f6ec3-23
0.700
ALP-POS-02c6a514-45
0.696
PET-UNK-7d68125a-4
0.695
ALP-POS-305f6ec3-20
0.690
ALP-POS-305f6ec3-10
0.689
PET-UNK-7d68125a-3
0.688
PET-UNK-7d68125a-2
0.688
ALP-POS-305f6ec3-40
0.687
ALP-POS-305f6ec3-35
0.683
ALP-POS-305f6ec3-4
0.683
ALP-POS-95f71980-11
0.683
ALP-POS-305f6ec3-1
0.683
ALP-POS-305f6ec3-53
0.682
JOE-NOR-4e4adc6b-1
0.680
ALP-POS-305f6ec3-17
0.676
PET-UNK-7d68125a-1
0.673
ALP-POS-305f6ec3-19
0.673
ALP-POS-02c6a514-40
0.673
ALP-POS-305f6ec3-21
0.673
ALP-UNI-fe744232-18
0.670
WIL-UNI-354943b6-10
0.670
ALP-POS-305f6ec3-42
0.670
ALP-UNI-c3ef0aba-3
0.667
ALP-POS-305f6ec3-13
0.661
ALP-POS-305f6ec3-51
0.660
ALP-POS-305f6ec3-16
0.657
ALP-POS-305f6ec3-45
0.657
ALP-POS-305f6ec3-5
0.657
ALP-POS-305f6ec3-37
0.655
ALP-POS-305f6ec3-9
0.651
ALP-POS-305f6ec3-36
0.651
ALP-POS-305f6ec3-18
0.651
ALP-POS-95f71980-36
0.650
ALP-POS-02c6a514-17
0.641
ALP-POS-02c6a514-51
0.641
ALP-POS-95f71980-19
0.640
ALP-POS-305f6ec3-7
0.636
ALP-POS-305f6ec3-11
0.634
ALP-POS-305f6ec3-24
0.627
ALP-POS-305f6ec3-31
0.627
ALP-POS-305f6ec3-32
0.627
ALP-POS-ced8ea4d-27
0.624