Molecular Properties | |
SMILES: | Cc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1OC(F)F |
MW: | 524.17 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 97.56 |
cLogP: | 4.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
BRU-THA-92256091-42
0.786
ALP-POS-ced8ea4d-39
0.765
ALP-POS-ced8ea4d-51
0.757
ALP-POS-ced8ea4d-27
0.733
ALP-POS-ced8ea4d-19
0.728
ALP-POS-ced8ea4d-12
0.724
ALP-POS-ced8ea4d-50
0.718
ALP-POS-e980f4ea-44
0.717
ALP-POS-ced8ea4d-28
0.713
ALP-POS-02c6a514-50
0.709
ALP-POS-ced8ea4d-67
0.705
ALP-POS-ced8ea4d-9
0.702
ALP-POS-ced8ea4d-52
0.698
ALP-POS-ced8ea4d-49
0.698
ALP-UNI-fe744232-18
0.695
ALP-POS-ced8ea4d-37
0.689
ALP-UNI-fe744232-3
0.689
ALP-POS-95f71980-37
0.685
ALP-POS-ced8ea4d-20
0.685
ALP-UNI-fe744232-14
0.682
ALP-POS-ced8ea4d-11
0.682
ALP-POS-ced8ea4d-5
0.682
ALP-UNI-fe744232-30
0.679
ALP-POS-ced8ea4d-21
0.679
ALP-UNI-fe744232-9
0.676
ALP-POS-95f71980-36
0.676
ALP-POS-ced8ea4d-10
0.676
ALP-UNI-fe744232-17
0.673
ALP-POS-95f71980-3
0.673
ALP-POS-ced8ea4d-62
0.670
ALP-UNI-fe744232-12
0.670
ALP-POS-ced8ea4d-38
0.670
ALP-POS-ced8ea4d-53
0.670
ALP-POS-ced8ea4d-24
0.670
ALP-POS-95f71980-32
0.670
ALP-POS-ced8ea4d-15
0.667
ALP-POS-ced8ea4d-65
0.667
ALP-POS-ced8ea4d-59
0.667
ALP-POS-ced8ea4d-8
0.664
ALP-POS-ced8ea4d-36
0.664
ALP-UNI-fe744232-15
0.664
ALP-UNI-fe744232-22
0.664
ALP-POS-ced8ea4d-63
0.661
ALP-POS-95f71980-9
0.660
ALP-POS-ced8ea4d-47
0.658
ALP-POS-95f71980-28
0.658
ALP-POS-ced8ea4d-16
0.658
ALP-UNI-fe744232-1
0.658
ALP-POS-ced8ea4d-1
0.650
ALP-POS-95f71980-33
0.649
ALP-POS-ced8ea4d-18
0.647
ALP-UNI-fe744232-11
0.646
ALP-POS-ced8ea4d-17
0.640
ALP-UNI-fe744232-19
0.640
ALP-POS-95f71980-16
0.636
ALP-POS-ced8ea4d-25
0.636
ALP-UNI-fe744232-25
0.635
ALP-POS-95f71980-10
0.635
ALP-POS-95f71980-14
0.633
ALP-POS-95f71980-27
0.629
ALP-POS-95f71980-34
0.629
ALP-POS-95f71980-35
0.629
ALP-UNI-fe744232-13
0.629
ALP-POS-ced8ea4d-30
0.628
ALP-POS-ced8ea4d-32
0.627
ALP-POS-95f71980-26
0.626
ALP-POS-95f71980-38
0.622
ALP-POS-95f71980-13
0.622
ALP-POS-95f71980-12
0.619
ALP-POS-95f71980-1
0.616
ALP-POS-95f71980-20
0.616
ALP-POS-95f71980-15
0.613
ALP-POS-95f71980-8
0.612
ALP-POS-95f71980-5
0.611
ALP-POS-95f71980-31
0.611
ALP-POS-95f71980-39
0.611
ALP-POS-ced8ea4d-34
0.603
ALP-POS-95f71980-41
0.600
ALP-POS-ced8ea4d-7
0.598
ALP-POS-95f71980-40
0.595
ALP-POS-ced8ea4d-35
0.585
ALP-POS-ced8ea4d-41
0.584
BRU-THA-92256091-30
0.584
ALP-POS-ced8ea4d-64
0.582
ALP-POS-ced8ea4d-54
0.580
ALP-UNI-fe744232-2
0.580
BRU-THA-92256091-16
0.579
ALP-POS-95f71980-30
0.579
ALP-POS-ced8ea4d-58
0.578
ALP-UNI-fe744232-10
0.577
ALP-POS-d0876c20-17
0.573
ALP-POS-d0876c20-5
0.568
ALP-POS-d0876c20-1
0.565
ALP-POS-ced8ea4d-46
0.563
BRU-THA-92256091-22
0.562
BRU-THA-92256091-44
0.562
ALP-POS-ced8ea4d-45
0.559
ALP-POS-ced8ea4d-40
0.559
ALP-UNI-fe744232-16
0.558
ALP-POS-ced8ea4d-13
0.557