Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(S(=O)(=O)C2CCCC2)cc1 |
MW: | 575.2 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 125.12 |
cLogP: | 4.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-17
0.792
BRU-THA-92256091-15
0.782
BRU-THA-92256091-14
0.760
ALP-POS-e980f4ea-17
0.757
MAT-POS-f2460aef-3
0.738
ALP-POS-1245c3fa-1
0.735
BRU-THA-92256091-24
0.735
BRU-THA-92256091-23
0.733
BRU-THA-92256091-22
0.728
BRU-THA-92256091-20
0.726
BRU-THA-92256091-8
0.716
BRU-THA-92256091-19
0.714
BRU-THA-92256091-80
0.713
WIL-UNI-354943b6-2
0.708
WIL-UNI-354943b6-10
0.708
BRU-THA-92256091-18
0.708
BRU-THA-92256091-32
0.708
WIL-UNI-354943b6-8
0.697
WIL-UNI-354943b6-12
0.697
WIL-UNI-354943b6-7
0.694
BRU-THA-92256091-16
0.694
WIL-UNI-354943b6-3
0.694
BRU-THA-92256091-17
0.694
WIL-UNI-354943b6-6
0.690
WIL-UNI-354943b6-5
0.688
BRU-THA-92256091-21
0.688
BRU-THA-92256091-75
0.688
WIL-UNI-354943b6-13
0.688
BRU-THA-92256091-85
0.682
WIL-UNI-354943b6-14
0.682
BRU-THA-92256091-84
0.681
BRU-THA-92256091-86
0.679
WIL-UNI-354943b6-9
0.676
WIL-UNI-354943b6-4
0.673
WIL-UNI-354943b6-1
0.670
BRU-THA-92256091-91
0.664
BRU-THA-92256091-93
0.661
WIL-UNI-354943b6-11
0.658
BRU-THA-92256091-31
0.655
BRU-THA-92256091-30
0.655
ALP-POS-1245c3fa-2
0.651
BRU-THA-92256091-79
0.635
BRU-THA-92256091-51
0.629
BRU-THA-92256091-64
0.629
BRU-THA-92256091-44
0.627
BRU-THA-92256091-42
0.626
BRU-THA-92256091-62
0.626
BRU-THA-92256091-61
0.621
BRU-THA-92256091-59
0.621
BRU-THA-92256091-76
0.620
BRU-THA-92256091-54
0.619
BRU-THA-92256091-66
0.619
BRU-THA-92256091-65
0.615
BRU-THA-92256091-55
0.613
BRU-THA-92256091-78
0.612
BRU-THA-92256091-52
0.610
BRU-THA-92256091-60
0.610
ALP-POS-ced8ea4d-9
0.607
BRU-THA-92256091-67
0.605
BRU-THA-92256091-13
0.602
BRU-THA-92256091-9
0.602
BRU-THA-92256091-63
0.600
BRU-THA-92256091-68
0.600
BRU-THA-92256091-92
0.600
ALP-POS-ced8ea4d-5
0.591
BRU-THA-92256091-12
0.585
ALP-POS-02c6a514-50
0.584
BRU-THA-92256091-6
0.584
ALP-POS-305f6ec3-33
0.583
BRU-THA-92256091-25
0.581
BRU-THA-92256091-11
0.578
ALP-POS-ced8ea4d-52
0.578
BRU-THA-92256091-7
0.577
BRU-THA-92256091-33
0.576
ALP-POS-305f6ec3-46
0.575
ALP-POS-ced8ea4d-27
0.575
ALP-POS-e980f4ea-9
0.575
BRU-THA-92256091-77
0.575
BRU-THA-92256091-2
0.574
ALP-POS-95f71980-34
0.574
BRU-THA-92256091-38
0.573
BRU-THA-92256091-71
0.571
ALP-POS-305f6ec3-14
0.570
ALP-POS-ced8ea4d-62
0.568
BRU-THA-92256091-10
0.568
ALP-POS-95f71980-4
0.566
ALP-POS-ced8ea4d-11
0.564
ALP-UNI-fe744232-22
0.563
PET-UNK-48ab5cd7-3
0.561
ALP-POS-95f71980-27
0.561
ALP-UNI-fe744232-18
0.560
ALP-POS-305f6ec3-38
0.560
ALP-POS-ced8ea4d-19
0.560
ALP-POS-e980f4ea-5
0.560
ALP-POS-95f71980-36
0.559
BRU-THA-92256091-1
0.559
ALP-POS-95f71980-17
0.558
ALP-POS-ced8ea4d-28
0.558
BRU-THA-92256091-88
0.557
ALP-POS-305f6ec3-48
0.557