Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(O[C@H]2CCOC2)cc1 |
MW: | 529.21 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 109.44 |
cLogP: | 3.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-32
0.802
ALP-POS-e980f4ea-32
0.768
BRU-THA-92256091-19
0.745
BRU-THA-92256091-80
0.743
BRU-THA-92256091-18
0.738
BRU-THA-92256091-17
0.725
BRU-THA-92256091-16
0.725
WIL-UNI-354943b6-14
0.712
BRU-THA-92256091-91
0.707
ALP-POS-1245c3fa-1
0.701
BRU-THA-92256091-24
0.701
WIL-UNI-354943b6-12
0.696
BRU-THA-92256091-22
0.694
MAT-POS-f2460aef-3
0.688
WIL-UNI-354943b6-4
0.687
BRU-THA-92256091-23
0.685
BRU-THA-92256091-8
0.682
BRU-THA-92256091-15
0.682
BRU-THA-92256091-83
0.681
WIL-UNI-354943b6-2
0.676
WIL-UNI-354943b6-10
0.676
WIL-UNI-354943b6-6
0.675
BRU-THA-92256091-93
0.675
BRU-THA-92256091-31
0.670
BRU-THA-92256091-20
0.664
WIL-UNI-354943b6-3
0.664
WIL-UNI-354943b6-7
0.664
BRU-THA-92256091-14
0.664
BRU-THA-92256091-21
0.658
BRU-THA-92256091-75
0.658
WIL-UNI-354943b6-5
0.658
BRU-THA-92256091-30
0.655
BRU-THA-92256091-85
0.652
WIL-UNI-354943b6-8
0.652
BRU-THA-92256091-79
0.650
WIL-UNI-354943b6-9
0.647
BRU-THA-92256091-32
0.646
WIL-UNI-354943b6-13
0.644
WIL-UNI-354943b6-1
0.641
BRU-THA-92256091-86
0.636
BRU-THA-92256091-54
0.633
WIL-UNI-354943b6-11
0.630
BRU-THA-92256091-55
0.628
ALP-POS-1245c3fa-2
0.623
BRU-THA-92256091-1
0.615
BRU-THA-92256091-42
0.613
BRU-THA-92256091-61
0.608
BRU-THA-92256091-66
0.607
BRU-THA-92256091-64
0.603
BRU-THA-92256091-51
0.603
BRU-THA-92256091-68
0.602
BRU-THA-92256091-62
0.600
BRU-THA-92256091-52
0.598
BRU-THA-92256091-10
0.597
WIL-UNI-de614146-7
0.596
BRU-THA-92256091-59
0.595
BRU-THA-92256091-67
0.593
BRU-THA-92256091-65
0.590
ALP-POS-ced8ea4d-19
0.590
BRU-THA-92256091-44
0.589
BRU-THA-92256091-63
0.589
BRU-THA-92256091-92
0.589
BRU-THA-92256091-60
0.585
ALP-POS-ced8ea4d-67
0.585
ALP-POS-ced8ea4d-62
0.583
WIL-UNI-de614146-1
0.577
BRU-THA-92256091-82
0.577
BRU-THA-92256091-81
0.577
ALP-POS-ced8ea4d-12
0.575
ALP-POS-ced8ea4d-51
0.575
BRU-THA-92256091-78
0.575
BRU-THA-92256091-12
0.574
BRU-THA-92256091-76
0.570
BRU-THA-92256091-49
0.569
BRU-THA-92256091-50
0.569
ALP-UNI-fe744232-30
0.566
WIL-UNI-de614146-8
0.564
WIL-UNI-de614146-11
0.561
WIL-UNI-de614146-5
0.559
BRU-THA-92256091-3
0.557
BRU-THA-92256091-5
0.557
BRU-THA-92256091-25
0.557
BRU-THA-92256091-39
0.557
WIL-UNI-de614146-4
0.555
ALP-POS-e980f4ea-67
0.555
WIL-UNI-de614146-6
0.554
ALP-POS-e980f4ea-62
0.554
BRU-THA-92256091-77
0.553
ALP-UNI-fe744232-22
0.553
BRU-THA-92256091-11
0.553
BRU-THA-92256091-40
0.552
BRU-THA-92256091-7
0.552
ALP-POS-95f71980-27
0.551
ALP-POS-95f71980-34
0.551
ALP-POS-ced8ea4d-27
0.551
ALP-POS-e980f4ea-19
0.551
BRU-THA-92256091-13
0.550
BRU-THA-92256091-9
0.550
ALP-POS-95f71980-36
0.549
WIL-UNI-de614146-10
0.549