Molecular Properties | |
SMILES: | COCc1csc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)n1 |
MW: | 494.15 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 113.1 |
cLogP: | 3.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-34
0.788
ALP-POS-e980f4ea-34
0.767
BRU-THA-92256091-23
0.689
BRU-THA-92256091-19
0.670
ALP-POS-1245c3fa-1
0.657
BRU-THA-92256091-8
0.654
BRU-THA-92256091-22
0.651
BRU-THA-92256091-31
0.642
BRU-THA-92256091-24
0.642
WIL-UNI-354943b6-14
0.640
BRU-THA-92256091-18
0.633
BRU-THA-92256091-21
0.631
MAT-POS-f2460aef-3
0.630
BRU-THA-92256091-30
0.627
BRU-THA-92256091-15
0.624
ALP-POS-1245c3fa-2
0.624
BRU-THA-92256091-17
0.622
BRU-THA-92256091-16
0.622
BRU-THA-92256091-32
0.618
WIL-UNI-354943b6-2
0.618
WIL-UNI-354943b6-10
0.618
WIL-UNI-354943b6-8
0.611
BRU-THA-92256091-59
0.609
BRU-THA-92256091-14
0.607
BRU-THA-92256091-20
0.607
WIL-UNI-354943b6-3
0.607
WIL-UNI-354943b6-7
0.607
BRU-THA-92256091-51
0.603
WIL-UNI-354943b6-5
0.602
BRU-THA-92256091-75
0.602
BRU-THA-92256091-42
0.600
BRU-THA-92256091-52
0.598
BRU-THA-92256091-60
0.598
BRU-THA-92256091-80
0.596
BRU-THA-92256091-85
0.596
WIL-UNI-354943b6-12
0.596
BRU-THA-92256091-79
0.595
BRU-THA-92256091-11
0.594
BRU-THA-92256091-66
0.593
WIL-UNI-354943b6-9
0.591
BRU-THA-92256091-65
0.590
BRU-THA-92256091-64
0.590
BRU-THA-92256091-63
0.588
BRU-THA-92256091-44
0.588
BRU-THA-92256091-62
0.586
WIL-UNI-354943b6-1
0.586
BRU-THA-92256091-83
0.585
BRU-THA-92256091-86
0.581
BRU-THA-92256091-61
0.581
BRU-THA-92256091-67
0.580
BRU-THA-92256091-93
0.580
BRU-THA-92256091-7
0.578
WIL-UNI-354943b6-4
0.576
WIL-UNI-354943b6-11
0.576
WIL-UNI-354943b6-13
0.576
BRU-THA-92256091-68
0.575
BRU-THA-92256091-92
0.575
BRU-THA-92256091-84
0.574
BRU-THA-92256091-78
0.574
BRU-THA-92256091-88
0.571
BRU-THA-92256091-54
0.567
WIL-UNI-354943b6-6
0.567
BRU-THA-92256091-55
0.562
BRU-THA-92256091-2
0.561
BRU-THA-92256091-4
0.558
BRU-THA-92256091-6
0.558
BRU-THA-92256091-91
0.557
BRU-THA-92256091-3
0.556
BRU-THA-92256091-5
0.556
BRU-THA-92256091-28
0.551
BRU-THA-92256091-13
0.548
BRU-THA-92256091-27
0.548
BRU-THA-92256091-9
0.548
BRU-THA-92256091-35
0.546
BRU-THA-92256091-76
0.544
BRU-THA-92256091-25
0.542
BRU-THA-92256091-26
0.542
BRU-THA-92256091-41
0.542
ALP-POS-e980f4ea-52
0.539
BRU-THA-92256091-77
0.539
ALP-POS-ced8ea4d-52
0.538
BRU-THA-92256091-37
0.537
BRU-THA-92256091-82
0.537
BRU-THA-92256091-81
0.537
BRU-THA-92256091-1
0.534
BRU-THA-92256091-38
0.534
BRU-THA-92256091-43
0.533
BRU-THA-92256091-10
0.529
BRU-THA-92256091-39
0.529
BRU-THA-92256091-69
0.529
BRU-THA-92256091-50
0.529
BRU-THA-92256091-49
0.529
BRU-THA-92256091-33
0.525
BRU-THA-92256091-34
0.525
ALP-POS-e980f4ea-19
0.522
ALP-POS-ced8ea4d-19
0.521
BRU-THA-92256091-71
0.521
BRU-THA-92256091-45
0.520
ALP-POS-95f71980-17
0.518
ALP-POS-95f71980-9
0.517