Molecular Properties | |
SMILES: | CC1CC(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)CCO1 |
MW: | 465.22 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 3.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
BRU-THA-92256091-29
0.769
ALP-POS-e980f4ea-66
0.762
ALP-POS-e980f4ea-60
0.755
ALP-POS-e980f4ea-22
0.740
ALP-POS-e980f4ea-13
0.740
ALP-POS-e980f4ea-56
0.733
ALP-POS-e980f4ea-14
0.731
ALP-POS-ced8ea4d-43
0.729
ALP-POS-e980f4ea-2
0.728
ALP-POS-e980f4ea-42
0.726
ALP-POS-e980f4ea-45
0.708
ALP-POS-e980f4ea-6
0.685
ALP-POS-e980f4ea-61
0.679
ALP-POS-e980f4ea-55
0.673
ALP-POS-e980f4ea-31
0.670
ALP-POS-e980f4ea-57
0.661
ALP-POS-e980f4ea-4
0.658
ALP-POS-e980f4ea-26
0.647
ALP-POS-e980f4ea-23
0.634
ALP-POS-e980f4ea-3
0.634
ALP-POS-e980f4ea-29
0.631
ALP-POS-e980f4ea-33
0.619
BRU-THA-92256091-1
0.607
BRU-THA-92256091-47
0.588
BRU-THA-92256091-10
0.588
BRU-THA-92256091-13
0.580
BRU-THA-92256091-9
0.580
ALP-POS-e980f4ea-54
0.578
ALP-POS-e980f4ea-7
0.575
BRU-THA-92256091-69
0.574
BRU-THA-92256091-3
0.574
BRU-THA-92256091-5
0.574
BRU-THA-92256091-49
0.573
BRU-THA-92256091-70
0.571
BRU-THA-92256091-2
0.566
BRU-THA-92256091-38
0.565
ALP-POS-ced8ea4d-66
0.565
ALP-POS-e980f4ea-28
0.565
BRU-THA-92256091-71
0.564
BRU-THA-92256091-39
0.560
ALP-POS-e980f4ea-64
0.560
BRU-THA-92256091-74
0.559
BRU-THA-92256091-72
0.559
ALP-POS-e980f4ea-62
0.557
ALP-POS-e980f4ea-63
0.557
BRU-THA-92256091-33
0.556
ALP-POS-e980f4ea-27
0.555
BRU-THA-92256091-4
0.550
ALP-POS-ced8ea4d-60
0.549
ALP-POS-e980f4ea-41
0.549
ALP-POS-e980f4ea-58
0.548
ALP-POS-ced8ea4d-13
0.548
ALP-POS-ced8ea4d-22
0.548
BRU-THA-92256091-25
0.547
BRU-THA-92256091-36
0.546
BRU-THA-92256091-50
0.546
ALP-POS-e980f4ea-37
0.544
ALP-POS-b0bc6a46-21
0.543
ALP-POS-02c6a514-36
0.543
ALP-POS-ced8ea4d-14
0.542
ALP-POS-e980f4ea-59
0.542
BRU-THA-92256091-34
0.542
BRU-THA-92256091-40
0.542
ALP-POS-e980f4ea-65
0.542
ALP-POS-e980f4ea-53
0.542
ALP-POS-e980f4ea-9
0.540
ALP-POS-e980f4ea-19
0.540
ALP-POS-e980f4ea-11
0.539
BRU-THA-92256091-46
0.537
ALP-POS-e980f4ea-47
0.537
ALP-POS-e980f4ea-32
0.537
ALP-POS-ced8ea4d-2
0.534
ALP-POS-ced8ea4d-56
0.533
ALP-POS-e980f4ea-21
0.533
ALP-POS-e980f4ea-17
0.533
ALP-POS-ced8ea4d-42
0.533
ALP-POS-e980f4ea-52
0.530
ALP-POS-e980f4ea-67
0.530
ALP-POS-02c6a514-47
0.529
ALP-POS-b0bc6a46-28
0.529
BRU-THA-92256091-37
0.529
BRU-THA-92256091-81
0.529
BRU-THA-92256091-82
0.529
BRU-THA-92256091-73
0.528
BRU-THA-92256091-56
0.528
ALP-POS-e980f4ea-39
0.526
ALP-POS-e980f4ea-51
0.526
ALP-POS-e980f4ea-12
0.526
ALP-POS-e980f4ea-49
0.526
ALP-POS-e980f4ea-5
0.526
ALP-POS-ced8ea4d-45
0.525
BRU-THA-92256091-89
0.524
ALP-POS-e980f4ea-18
0.521
MIC-UNK-8686cf1d-4
0.520
MIC-UNK-8686cf1d-3
0.517
ALP-POS-e980f4ea-36
0.516
ALP-POS-e980f4ea-35
0.516
BRU-THA-92256091-48
0.516
BRU-THA-92256091-58
0.516
ALP-POS-e980f4ea-40
0.513