Molecular Properties | |
SMILES: | Cc1nc2cc(N(C(=O)c3c[nH]cn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc2o1 |
MW: | 498.18 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 117.01 |
cLogP: | 4.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-67
0.787
ALP-POS-1245c3fa-1
0.705
BRU-THA-92256091-24
0.705
BRU-THA-92256091-61
0.696
BRU-THA-92256091-66
0.693
BRU-THA-92256091-8
0.686
BRU-THA-92256091-22
0.682
BRU-THA-92256091-62
0.673
BRU-THA-92256091-15
0.670
ALP-POS-1245c3fa-2
0.670
BRU-THA-92256091-19
0.670
BRU-THA-92256091-52
0.670
BRU-THA-92256091-54
0.664
BRU-THA-92256091-51
0.661
MAT-POS-f2460aef-3
0.661
BRU-THA-92256091-42
0.658
BRU-THA-92256091-59
0.652
BRU-THA-92256091-20
0.652
WIL-UNI-354943b6-3
0.652
WIL-UNI-354943b6-7
0.652
BRU-THA-92256091-32
0.649
BRU-THA-92256091-18
0.649
WIL-UNI-354943b6-2
0.649
WIL-UNI-354943b6-10
0.649
BRU-THA-92256091-65
0.647
BRU-THA-92256091-64
0.647
WIL-UNI-354943b6-4
0.647
BRU-THA-92256091-63
0.644
BRU-THA-92256091-55
0.644
BRU-THA-92256091-23
0.643
BRU-THA-92256091-30
0.643
BRU-THA-92256091-31
0.643
BRU-THA-92256091-60
0.641
WIL-UNI-354943b6-8
0.640
WIL-UNI-354943b6-14
0.640
BRU-THA-92256091-80
0.640
WIL-UNI-354943b6-12
0.640
BRU-THA-92256091-79
0.638
BRU-THA-92256091-17
0.637
BRU-THA-92256091-16
0.637
BRU-THA-92256091-14
0.637
WIL-UNI-354943b6-9
0.635
BRU-THA-92256091-21
0.632
WIL-UNI-354943b6-5
0.632
BRU-THA-92256091-92
0.630
WIL-UNI-354943b6-1
0.629
BRU-THA-92256091-85
0.626
ALP-POS-ced8ea4d-21
0.622
WIL-UNI-354943b6-11
0.619
WIL-UNI-354943b6-13
0.619
BRU-THA-92256091-75
0.617
BRU-THA-92256091-44
0.617
BRU-THA-92256091-91
0.612
BRU-THA-92256091-86
0.610
BRU-THA-92256091-93
0.608
BRU-THA-92256091-78
0.602
BRU-THA-92256091-84
0.602
BRU-THA-92256091-83
0.600
BRU-THA-92256091-76
0.597
ALP-POS-e980f4ea-21
0.597
WIL-UNI-354943b6-6
0.595
BRU-THA-92256091-11
0.582
BRU-THA-92256091-77
0.578
BRU-THA-92256091-12
0.575
BRU-THA-92256091-7
0.566
ALP-POS-ced8ea4d-10
0.566
BRU-THA-92256091-88
0.561
ALP-POS-ced8ea4d-65
0.560
ALP-POS-ced8ea4d-27
0.552
BRU-THA-92256091-27
0.551
BRU-THA-92256091-1
0.537
ALP-POS-ced8ea4d-38
0.536
ALP-POS-ced8ea4d-28
0.534
BRU-THA-92256091-6
0.534
BRU-THA-92256091-10
0.533
BRU-THA-92256091-29
0.532
BRU-THA-92256091-41
0.532
ALP-POS-e980f4ea-10
0.532
ALP-POS-ced8ea4d-36
0.532
ALP-POS-ced8ea4d-9
0.529
ALP-POS-e980f4ea-65
0.528
ALP-POS-e980f4ea-27
0.526
BRU-THA-92256091-2
0.525
BRU-THA-92256091-9
0.525
BRU-THA-92256091-13
0.525
ALP-POS-ced8ea4d-19
0.525
ALP-POS-ced8ea4d-44
0.524
ALP-POS-ced8ea4d-53
0.524
ALP-POS-ced8ea4d-20
0.524
ALP-POS-ced8ea4d-24
0.524
ALP-POS-305f6ec3-14
0.521
ALP-POS-02c6a514-50
0.521
ALP-POS-b0bc6a46-6
0.521
ALP-POS-305f6ec3-33
0.521
ALP-POS-02c6a514-7
0.521
BRU-THA-92256091-26
0.520
BRU-THA-92256091-39
0.520
BRU-THA-92256091-50
0.520
BRU-THA-92256091-72
0.520
BRU-THA-92256091-74
0.520