Molecular Properties | |
SMILES: | Cc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1S(=O)(=O)NC1CC1 |
MW: | 577.18 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 11 |
TPSA: | 134.5 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dye 22
Hetero_hetero
ALP-POS-ced8ea4d-49
0.694
ALP-POS-ced8ea4d-27
0.679
ALP-POS-02c6a514-50
0.673
ALP-POS-ced8ea4d-44
0.670
ALP-POS-ced8ea4d-9
0.667
ALP-POS-ced8ea4d-39
0.664
ALP-UNI-fe744232-18
0.661
ALP-POS-ced8ea4d-28
0.661
ALP-UNI-fe744232-11
0.658
ALP-POS-95f71980-36
0.658
ALP-POS-ced8ea4d-63
0.658
ALP-UNI-fe744232-13
0.655
ALP-POS-ced8ea4d-37
0.655
ALP-POS-ced8ea4d-17
0.653
ALP-POS-95f71980-37
0.652
ALP-POS-ced8ea4d-62
0.652
ALP-POS-ced8ea4d-65
0.650
ALP-POS-ced8ea4d-59
0.650
ALP-POS-ced8ea4d-5
0.649
ALP-POS-ced8ea4d-11
0.649
ALP-POS-ced8ea4d-8
0.647
ALP-POS-ced8ea4d-21
0.647
ALP-POS-ced8ea4d-19
0.646
ALP-POS-ced8ea4d-10
0.644
ALP-POS-ced8ea4d-50
0.642
ALP-POS-ced8ea4d-67
0.640
ALP-UNI-fe744232-3
0.640
ALP-POS-ced8ea4d-38
0.639
ALP-POS-ced8ea4d-53
0.639
ALP-POS-ced8ea4d-20
0.639
ALP-UNI-fe744232-14
0.635
ALP-POS-ced8ea4d-52
0.635
ALP-UNI-fe744232-15
0.632
ALP-UNI-fe744232-22
0.632
ALP-POS-ced8ea4d-51
0.629
ALP-POS-ced8ea4d-12
0.629
ALP-UNI-fe744232-9
0.629
ALP-POS-95f71980-34
0.628
ALP-POS-ced8ea4d-47
0.628
ALP-UNI-fe744232-17
0.627
ALP-POS-95f71980-3
0.627
ALP-POS-ced8ea4d-32
0.626
ALP-POS-ced8ea4d-24
0.625
ALP-UNI-fe744232-12
0.624
ALP-POS-ced8ea4d-36
0.620
ALP-UNI-fe744232-30
0.619
ALP-POS-ced8ea4d-18
0.618
ALP-POS-95f71980-27
0.615
ALP-POS-95f71980-28
0.615
ALP-POS-95f71980-9
0.614
ALP-POS-ced8ea4d-16
0.613
ALP-UNI-fe744232-1
0.613
ALP-POS-ced8ea4d-15
0.610
ALP-POS-ced8ea4d-25
0.608
ALP-POS-ced8ea4d-1
0.608
ALP-POS-95f71980-38
0.608
ALP-POS-95f71980-16
0.607
ALP-POS-95f71980-10
0.607
ALP-POS-95f71980-33
0.607
ALP-UNI-fe744232-25
0.607
ALP-POS-95f71980-14
0.603
ALP-POS-95f71980-35
0.602
ALP-UNI-fe744232-19
0.598
ALP-POS-95f71980-39
0.597
ALP-POS-95f71980-5
0.597
ALP-POS-95f71980-13
0.593
ALP-POS-ced8ea4d-30
0.589
ALP-POS-95f71980-20
0.588
ALP-POS-95f71980-15
0.587
ALP-POS-95f71980-26
0.585
ALP-POS-95f71980-31
0.583
ALP-POS-95f71980-12
0.579
ALP-POS-95f71980-1
0.575
ALP-POS-95f71980-41
0.574
ALP-POS-95f71980-8
0.573
ALP-POS-ced8ea4d-35
0.560
ALP-POS-ced8ea4d-13
0.558
ALP-POS-ced8ea4d-22
0.558
ALP-POS-ced8ea4d-7
0.557
ALP-POS-95f71980-40
0.556
ALP-POS-d0876c20-5
0.556
ALP-POS-ced8ea4d-54
0.555
ALP-POS-ced8ea4d-58
0.553
ALP-POS-ced8ea4d-34
0.552
ALP-POS-ced8ea4d-66
0.549
ALP-POS-ced8ea4d-45
0.548
ALP-POS-d0876c20-17
0.547
BRU-THA-92256091-31
0.545
ALP-POS-ced8ea4d-41
0.545
ALP-POS-ced8ea4d-2
0.545
ALP-POS-ced8ea4d-56
0.544
ALP-POS-95f71980-30
0.543
ALP-POS-ced8ea4d-64
0.542
ALP-POS-d0876c20-1
0.541
ALP-POS-ced8ea4d-14
0.540
ALP-POS-ced8ea4d-43
0.540
BRU-THA-92256091-42
0.536
MAT-POS-f2460aef-3
0.533
ALP-POS-ced8ea4d-29
0.532
BRU-THA-92256091-24
0.529