Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCOC1 |
MW: | 437.19 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 2.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-e980f4ea-14
0.872
ALP-POS-e980f4ea-13
0.771
ALP-POS-e980f4ea-22
0.771
ALP-POS-e980f4ea-43
0.762
BRU-THA-92256091-1
0.760
ALP-POS-e980f4ea-56
0.745
ALP-POS-e980f4ea-2
0.740
ALP-POS-e980f4ea-42
0.738
ALP-POS-ced8ea4d-66
0.725
ALP-POS-e980f4ea-45
0.718
ALP-POS-e980f4ea-60
0.717
ALP-POS-e980f4ea-6
0.712
ALP-POS-e980f4ea-61
0.705
ALP-POS-e980f4ea-57
0.701
ALP-POS-e980f4ea-55
0.682
ALP-POS-e980f4ea-4
0.682
ALP-POS-e980f4ea-31
0.679
BRU-THA-92256091-10
0.670
ALP-POS-e980f4ea-33
0.657
ALP-POS-e980f4ea-26
0.655
ALP-POS-e980f4ea-29
0.654
ALP-POS-e980f4ea-3
0.642
ALP-POS-e980f4ea-23
0.642
ALP-POS-ced8ea4d-14
0.633
ALP-POS-e980f4ea-32
0.609
ALP-POS-e980f4ea-62
0.606
ALP-POS-e980f4ea-7
0.598
ALP-POS-e980f4ea-59
0.589
BRU-THA-92256091-9
0.587
BRU-THA-92256091-13
0.587
ALP-POS-e980f4ea-28
0.587
ALP-POS-e980f4ea-54
0.585
ALP-POS-e980f4ea-64
0.581
BRU-THA-92256091-39
0.580
BRU-THA-92256091-29
0.579
ALP-POS-e980f4ea-37
0.578
ALP-POS-e980f4ea-63
0.577
ALP-POS-e980f4ea-27
0.575
ALP-POS-e980f4ea-39
0.573
ALP-POS-e980f4ea-49
0.573
ALP-POS-e980f4ea-41
0.569
ALP-POS-ced8ea4d-13
0.568
ALP-POS-ced8ea4d-22
0.568
BRU-THA-92256091-49
0.565
BRU-THA-92256091-50
0.565
BRU-THA-92256091-70
0.564
BRU-THA-92256091-40
0.560
ALP-POS-e980f4ea-53
0.560
ALP-POS-e980f4ea-19
0.560
ALP-POS-e980f4ea-9
0.560
BRU-THA-92256091-2
0.559
ALP-POS-e980f4ea-11
0.559
BRU-THA-92256091-38
0.558
ALP-POS-e980f4ea-47
0.556
ALP-POS-e980f4ea-58
0.554
BRU-THA-92256091-3
0.553
BRU-THA-92256091-25
0.553
BRU-THA-92256091-69
0.553
BRU-THA-92256091-5
0.553
BRU-THA-92256091-74
0.552
BRU-THA-92256091-72
0.552
ALP-POS-e980f4ea-17
0.552
BRU-THA-92256091-36
0.552
ALP-POS-e980f4ea-67
0.550
ALP-POS-e980f4ea-52
0.550
ALP-POS-02c6a514-36
0.549
ALP-POS-b0bc6a46-21
0.549
BRU-THA-92256091-33
0.548
BRU-THA-92256091-34
0.548
ALP-POS-ced8ea4d-43
0.547
BRU-THA-92256091-56
0.545
ALP-POS-e980f4ea-5
0.545
ALP-POS-e980f4ea-51
0.545
ALP-POS-e980f4ea-12
0.545
BRU-THA-92256091-71
0.543
BRU-THA-92256091-46
0.542
BRU-THA-92256091-47
0.542
ALP-POS-ced8ea4d-2
0.539
ALP-POS-e980f4ea-18
0.538
ALP-POS-ced8ea4d-56
0.538
ALP-POS-ced8ea4d-42
0.538
ALP-POS-02c6a514-47
0.534
ALP-POS-b0bc6a46-28
0.534
BRU-THA-92256091-37
0.534
ALP-POS-e980f4ea-65
0.534
MIC-UNK-8686cf1d-1
0.534
BRU-THA-92256091-48
0.533
ALP-POS-e980f4ea-40
0.530
ALP-POS-ced8ea4d-45
0.530
BRU-THA-92256091-4
0.529
ALP-POS-e980f4ea-34
0.526
ALP-POS-e980f4ea-44
0.526
ALP-POS-e980f4ea-10
0.525
ALP-POS-e980f4ea-21
0.525
MIC-UNK-8686cf1d-4
0.525
ALP-POS-ced8ea4d-61
0.525
ALP-POS-e980f4ea-38
0.521
ALP-POS-e980f4ea-16
0.521
ALP-POS-e980f4ea-46
0.521
MIC-UNK-8686cf1d-3
0.521