Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCCOC1 |
MW: | 451.2 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 2.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-e980f4ea-66
0.872
ALP-POS-e980f4ea-13
0.792
ALP-POS-e980f4ea-22
0.792
BRU-THA-92256091-10
0.772
ALP-POS-e980f4ea-2
0.760
ALP-POS-e980f4ea-45
0.738
ALP-POS-e980f4ea-43
0.731
ALP-POS-e980f4ea-56
0.731
ALP-POS-ced8ea4d-14
0.731
ALP-POS-e980f4ea-61
0.724
ALP-POS-e980f4ea-42
0.724
ALP-POS-e980f4ea-57
0.704
ALP-POS-e980f4ea-60
0.704
ALP-POS-e980f4ea-6
0.698
BRU-THA-92256091-1
0.679
ALP-POS-e980f4ea-55
0.670
ALP-POS-e980f4ea-4
0.670
ALP-POS-e980f4ea-31
0.667
ALP-POS-e980f4ea-33
0.661
ALP-POS-e980f4ea-26
0.643
ALP-POS-e980f4ea-29
0.642
ALP-POS-ced8ea4d-66
0.633
ALP-POS-e980f4ea-23
0.631
ALP-POS-e980f4ea-3
0.631
BRU-THA-92256091-13
0.620
BRU-THA-92256091-9
0.620
ALP-POS-e980f4ea-63
0.609
ALP-POS-e980f4ea-62
0.595
BRU-THA-92256091-38
0.589
ALP-POS-e980f4ea-7
0.587
ALP-POS-ced8ea4d-13
0.586
ALP-POS-ced8ea4d-22
0.586
ALP-POS-e980f4ea-32
0.585
BRU-THA-92256091-39
0.584
BRU-THA-92256091-33
0.579
ALP-POS-e980f4ea-59
0.579
BRU-THA-92256091-40
0.578
ALP-POS-e980f4ea-28
0.575
ALP-POS-e980f4ea-54
0.574
BRU-THA-92256091-71
0.574
BRU-THA-92256091-46
0.573
ALP-POS-e980f4ea-64
0.570
BRU-THA-92256091-36
0.569
BRU-THA-92256091-49
0.569
BRU-THA-92256091-50
0.569
BRU-THA-92256091-29
0.569
BRU-THA-92256091-70
0.568
ALP-POS-e980f4ea-27
0.565
ALP-POS-e980f4ea-19
0.564
BRU-THA-92256091-2
0.562
ALP-POS-e980f4ea-41
0.559
BRU-THA-92256091-5
0.557
BRU-THA-92256091-3
0.557
BRU-THA-92256091-25
0.557
BRU-THA-92256091-69
0.557
ALP-POS-ced8ea4d-2
0.557
ALP-POS-e980f4ea-17
0.556
ALP-POS-e980f4ea-37
0.554
BRU-THA-92256091-34
0.552
ALP-POS-e980f4ea-53
0.551
BRU-THA-92256091-48
0.550
ALP-POS-e980f4ea-9
0.550
BRU-THA-92256091-56
0.549
ALP-POS-e980f4ea-39
0.549
ALP-POS-e980f4ea-49
0.549
ALP-POS-ced8ea4d-45
0.547
BRU-THA-92256091-4
0.546
ALP-POS-e980f4ea-47
0.546
BRU-THA-92256091-47
0.545
ALP-POS-e980f4ea-58
0.544
BRU-THA-92256091-74
0.542
BRU-THA-92256091-72
0.542
ALP-POS-ced8ea4d-61
0.542
ALP-POS-e980f4ea-67
0.540
ALP-POS-e980f4ea-52
0.540
ALP-POS-b0bc6a46-21
0.539
ALP-POS-02c6a514-36
0.539
ALP-POS-b0bc6a46-28
0.538
ALP-POS-02c6a514-47
0.538
BRU-THA-92256091-37
0.538
ALP-POS-e980f4ea-5
0.535
ALP-POS-e980f4ea-51
0.535
ALP-POS-e980f4ea-11
0.535
ALP-POS-e980f4ea-12
0.535
ALP-POS-ced8ea4d-56
0.529
BRU-THA-92256091-57
0.529
ALP-POS-e980f4ea-10
0.529
ALP-POS-e980f4ea-18
0.529
ALP-POS-ced8ea4d-42
0.529
MIC-UNK-8686cf1d-1
0.525
BRU-THA-92256091-81
0.525
BRU-THA-92256091-82
0.525
ALP-POS-e980f4ea-65
0.525
ALP-POS-ced8ea4d-43
0.525
BRU-THA-92256091-73
0.525
BRU-THA-92256091-58
0.524
ALP-POS-e980f4ea-40
0.521
BRU-THA-92256091-89
0.520
ALP-POS-e980f4ea-34
0.517
ALP-POS-e980f4ea-44
0.517