Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc([C@@H]2COCCO2)cc1 |
MW: | 529.21 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 109.44 |
cLogP: | 3.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-80
0.790
BRU-THA-92256091-22
0.724
ALP-POS-1245c3fa-1
0.714
BRU-THA-92256091-24
0.714
WIL-UNI-354943b6-12
0.709
BRU-THA-92256091-84
0.707
MAT-POS-f2460aef-3
0.701
WIL-UNI-354943b6-4
0.699
BRU-THA-92256091-8
0.695
BRU-THA-92256091-15
0.694
BRU-THA-92256091-19
0.694
WIL-UNI-354943b6-3
0.691
WIL-UNI-354943b6-2
0.688
WIL-UNI-354943b6-10
0.688
BRU-THA-92256091-18
0.688
WIL-UNI-354943b6-9
0.688
BRU-THA-92256091-21
0.685
BRU-THA-92256091-23
0.682
WIL-UNI-354943b6-8
0.679
WIL-UNI-354943b6-7
0.676
BRU-THA-92256091-16
0.676
BRU-THA-92256091-17
0.676
BRU-THA-92256091-14
0.676
BRU-THA-92256091-20
0.676
BRU-THA-92256091-79
0.675
WIL-UNI-354943b6-6
0.672
WIL-UNI-354943b6-5
0.670
WIL-UNI-354943b6-1
0.667
BRU-THA-92256091-83
0.664
WIL-UNI-354943b6-14
0.664
BRU-THA-92256091-85
0.664
WIL-UNI-354943b6-13
0.655
WIL-UNI-354943b6-11
0.655
BRU-THA-92256091-86
0.647
BRU-THA-92256091-54
0.644
BRU-THA-92256091-32
0.643
BRU-THA-92256091-75
0.640
BRU-THA-92256091-55
0.639
BRU-THA-92256091-31
0.637
BRU-THA-92256091-30
0.637
ALP-POS-1245c3fa-2
0.634
BRU-THA-92256091-61
0.632
BRU-THA-92256091-93
0.630
ALP-POS-ced8ea4d-62
0.621
BRU-THA-92256091-68
0.612
BRU-THA-92256091-42
0.610
BRU-THA-92256091-62
0.610
BRU-THA-92256091-52
0.608
BRU-THA-92256091-59
0.605
BRU-THA-92256091-67
0.603
BRU-THA-92256091-66
0.603
BRU-THA-92256091-51
0.600
BRU-THA-92256091-65
0.600
BRU-THA-92256091-64
0.600
BRU-THA-92256091-1
0.598
BRU-THA-92256091-60
0.595
BRU-THA-92256091-10
0.593
BRU-THA-92256091-76
0.592
BRU-THA-92256091-11
0.591
ALP-POS-e980f4ea-62
0.590
BRU-THA-92256091-44
0.585
BRU-THA-92256091-63
0.585
ALP-POS-95f71980-27
0.585
ALP-POS-95f71980-34
0.585
BRU-THA-92256091-78
0.584
BRU-THA-92256091-39
0.580
BRU-THA-92256091-7
0.575
BRU-THA-92256091-77
0.574
BRU-THA-92256091-92
0.573
BRU-THA-92256091-29
0.566
ALP-UNI-fe744232-22
0.562
ALP-POS-ced8ea4d-27
0.560
BRU-THA-92256091-2
0.559
ALP-POS-ced8ea4d-32
0.559
BRU-THA-92256091-12
0.557
ALP-POS-02c6a514-50
0.556
BRU-THA-92256091-6
0.556
ALP-POS-305f6ec3-33
0.555
BRU-THA-92256091-3
0.554
BRU-THA-92256091-5
0.554
BRU-THA-92256091-49
0.553
BRU-THA-92256091-50
0.553
BRU-THA-92256091-57
0.553
BRU-THA-92256091-70
0.552
WIL-UNI-de614146-7
0.552
ALP-POS-ced8ea4d-9
0.551
ALP-UNI-fe744232-11
0.548
WIL-UNI-de614146-1
0.548
BRU-THA-92256091-13
0.546
ALP-POS-305f6ec3-38
0.546
ALP-POS-ced8ea4d-19
0.546
ALP-UNI-fe744232-18
0.546
BRU-THA-92256091-9
0.546
BRU-THA-92256091-38
0.545
ALP-UNI-fe744232-9
0.545
BRU-THA-92256091-35
0.545
ALP-UNI-fe744232-17
0.545
BRU-THA-92256091-88
0.544
BRU-THA-92256091-47
0.543
ALP-POS-ced8ea4d-28
0.543