Molecular Properties | |
SMILES: | O=C(NCCCO)c1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 544.22 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 12 |
TPSA: | 140.31 |
cLogP: | 2.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
WIL-UNI-354943b6-9
0.888
WIL-UNI-354943b6-8
0.859
WIL-UNI-354943b6-3
0.838
ALP-UNI-fe744232-19
0.783
MAT-POS-f2460aef-3
0.745
BRU-THA-92256091-24
0.743
ALP-POS-1245c3fa-1
0.743
BRU-THA-92256091-22
0.735
WIL-UNI-354943b6-10
0.731
BRU-THA-92256091-8
0.723
BRU-THA-92256091-15
0.721
BRU-THA-92256091-19
0.721
BRU-THA-92256091-17
0.717
BRU-THA-92256091-16
0.717
WIL-UNI-354943b6-2
0.714
BRU-THA-92256091-18
0.714
WIL-UNI-354943b6-5
0.710
BRU-THA-92256091-23
0.708
WIL-UNI-354943b6-12
0.704
WIL-UNI-354943b6-14
0.704
BRU-THA-92256091-80
0.704
BRU-THA-92256091-14
0.701
BRU-THA-92256091-20
0.701
WIL-UNI-354943b6-7
0.701
BRU-THA-92256091-21
0.694
ALP-UNI-fe744232-17
0.691
BRU-THA-92256091-85
0.688
WIL-UNI-354943b6-1
0.676
BRU-THA-92256091-86
0.670
WIL-UNI-354943b6-6
0.667
ALP-UNI-fe744232-15
0.667
BRU-THA-92256091-32
0.667
WIL-UNI-354943b6-4
0.664
WIL-UNI-354943b6-13
0.664
BRU-THA-92256091-30
0.661
BRU-THA-92256091-31
0.661
BRU-THA-92256091-83
0.658
ALP-POS-1245c3fa-2
0.657
BRU-THA-92256091-91
0.655
BRU-THA-92256091-93
0.652
ALP-UNI-fe744232-9
0.649
BRU-THA-92256091-59
0.640
BRU-THA-92256091-64
0.635
BRU-THA-92256091-75
0.634
BRU-THA-92256091-42
0.632
BRU-THA-92256091-62
0.632
BRU-THA-92256091-84
0.630
BRU-THA-92256091-61
0.626
BRU-THA-92256091-51
0.621
BRU-THA-92256091-65
0.621
BRU-THA-92256091-68
0.619
BRU-THA-92256091-52
0.615
BRU-THA-92256091-60
0.615
BRU-THA-92256091-79
0.612
BRU-THA-92256091-54
0.610
BRU-THA-92256091-67
0.610
BRU-THA-92256091-66
0.610
BRU-THA-92256091-44
0.605
BRU-THA-92256091-55
0.605
BRU-THA-92256091-63
0.605
BRU-THA-92256091-78
0.603
BRU-THA-92256091-77
0.592
BRU-THA-92256091-92
0.592
PET-UNK-48ab5cd7-1
0.589
ALP-POS-305f6ec3-33
0.588
BRU-THA-92256091-76
0.585
BRU-THA-92256091-11
0.583
BRU-THA-92256091-7
0.582
BRU-THA-92256091-2
0.579
WIL-UNI-de614146-15
0.578
BRU-THA-92256091-12
0.576
ALP-POS-02c6a514-50
0.575
ALP-POS-305f6ec3-48
0.575
ALP-POS-305f6ec3-14
0.575
WIL-UNI-de614146-7
0.571
LON-WEI-2e27a2e5-2
0.569
WIL-UNI-de614146-1
0.567
ALP-POS-305f6ec3-46
0.566
ALP-POS-ced8ea4d-27
0.566
PET-UNK-48ab5cd7-3
0.566
ALP-POS-305f6ec3-38
0.565
BRU-THA-92256091-9
0.565
BRU-THA-92256091-13
0.565
ALP-UNI-fe744232-18
0.565
ALP-POS-02c6a514-11
0.564
ALP-POS-95f71980-17
0.562
BRU-THA-92256091-88
0.562
BRU-THA-92256091-6
0.561
MAT-POS-f2460aef-5
0.561
ALP-POS-305f6ec3-57
0.560
ALP-POS-02c6a514-38
0.559
ALP-POS-b0bc6a46-23
0.559
BRU-THA-92256091-74
0.558
BRU-THA-92256091-72
0.558
ALP-POS-95f71980-4
0.558
ALP-POS-95f71980-23
0.557
WIL-UNI-de614146-4
0.557
ALP-POS-ced8ea4d-9
0.557
ALP-POS-305f6ec3-54
0.556
ALP-POS-305f6ec3-50
0.556