Molecular Properties | |
SMILES: | CC1(c2ccc(N(C(=O)c3c[nH]cn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2)OCCO1 |
MW: | 529.21 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 109.44 |
cLogP: | 3.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
WIL-UNI-354943b6-12
0.804
ALP-UNI-fe744232-11
0.790
BRU-THA-92256091-22
0.752
BRU-THA-92256091-24
0.743
ALP-POS-1245c3fa-1
0.743
MAT-POS-f2460aef-3
0.728
BRU-THA-92256091-8
0.723
BRU-THA-92256091-15
0.721
BRU-THA-92256091-19
0.721
BRU-THA-92256091-80
0.720
BRU-THA-92256091-20
0.717
BRU-THA-92256091-18
0.714
WIL-UNI-354943b6-2
0.714
WIL-UNI-354943b6-10
0.714
BRU-THA-92256091-23
0.708
BRU-THA-92256091-31
0.708
BRU-THA-92256091-17
0.701
BRU-THA-92256091-14
0.701
BRU-THA-92256091-16
0.701
WIL-UNI-354943b6-3
0.701
WIL-UNI-354943b6-7
0.701
BRU-THA-92256091-91
0.699
WIL-UNI-354943b6-9
0.697
BRU-THA-92256091-21
0.694
WIL-UNI-354943b6-5
0.694
BRU-THA-92256091-30
0.692
WIL-UNI-354943b6-8
0.688
BRU-THA-92256091-85
0.688
WIL-UNI-354943b6-14
0.688
BRU-THA-92256091-84
0.687
WIL-UNI-354943b6-6
0.681
WIL-UNI-354943b6-13
0.679
WIL-UNI-354943b6-1
0.676
BRU-THA-92256091-83
0.673
BRU-THA-92256091-86
0.670
BRU-THA-92256091-32
0.667
WIL-UNI-354943b6-11
0.664
ALP-POS-1245c3fa-2
0.657
BRU-THA-92256091-61
0.655
BRU-THA-92256091-54
0.652
BRU-THA-92256091-93
0.652
BRU-THA-92256091-75
0.649
BRU-THA-92256091-55
0.647
BRU-THA-92256091-68
0.647
BRU-THA-92256091-79
0.640
BRU-THA-92256091-66
0.638
ALP-UNI-fe744232-22
0.637
BRU-THA-92256091-65
0.635
BRU-THA-92256091-42
0.632
BRU-THA-92256091-62
0.632
BRU-THA-92256091-52
0.629
BRU-THA-92256091-59
0.626
BRU-THA-92256091-67
0.624
BRU-THA-92256091-64
0.621
BRU-THA-92256091-51
0.621
BRU-THA-92256091-60
0.615
BRU-THA-92256091-76
0.612
BRU-THA-92256091-63
0.605
BRU-THA-92256091-44
0.605
BRU-THA-92256091-77
0.605
BRU-THA-92256091-78
0.603
BRU-THA-92256091-92
0.592
PET-UNK-48ab5cd7-5
0.584
BRU-THA-92256091-11
0.583
BRU-THA-92256091-7
0.582
ALP-POS-ced8ea4d-27
0.580
BRU-THA-92256091-12
0.576
ALP-POS-02c6a514-50
0.575
ALP-POS-305f6ec3-33
0.574
BRU-THA-92256091-49
0.571
ALP-POS-ced8ea4d-9
0.570
ALP-POS-ced8ea4d-11
0.569
ALP-POS-95f71980-27
0.566
ALP-POS-ced8ea4d-19
0.565
ALP-UNI-fe744232-18
0.565
ALP-POS-95f71980-36
0.564
BRU-THA-92256091-1
0.564
ALP-POS-ced8ea4d-28
0.562
BRU-THA-92256091-88
0.562
BRU-THA-92256091-6
0.561
ALP-POS-305f6ec3-14
0.561
ALP-POS-ced8ea4d-67
0.560
ALP-UNI-fe744232-3
0.560
ALP-POS-305f6ec3-57
0.560
ALP-POS-ced8ea4d-62
0.559
BRU-THA-92256091-10
0.559
BRU-THA-92256091-50
0.558
ALP-POS-95f71980-4
0.558
WIL-UNI-de614146-7
0.558
ALP-POS-ced8ea4d-49
0.556
ALP-POS-ced8ea4d-52
0.556
ALP-POS-ced8ea4d-5
0.556
ALP-UNI-fe744232-14
0.556
BRU-THA-92256091-40
0.554
ALP-POS-305f6ec3-1
0.554
WIL-UNI-de614146-1
0.554
ALP-POS-95f71980-34
0.553
ALP-POS-02c6a514-22
0.553
ALP-POS-305f6ec3-46
0.553
PET-UNK-48ab5cd7-3
0.553