Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCc2ccccc21 |
MW: | 483.21 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 90.98 |
cLogP: | 4.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-e980f4ea-29
0.838
ALP-POS-e980f4ea-3
0.804
BRU-THA-92256091-45
0.764
ALP-POS-ced8ea4d-23
0.750
ALP-POS-e980f4ea-13
0.683
ALP-POS-e980f4ea-22
0.683
ALP-POS-e980f4ea-33
0.673
BRU-THA-92256091-35
0.643
ALP-POS-e980f4ea-66
0.642
ALP-POS-e980f4ea-2
0.642
ALP-POS-e980f4ea-43
0.634
ALP-POS-e980f4ea-56
0.634
ALP-POS-e980f4ea-14
0.631
ALP-POS-e980f4ea-61
0.628
ALP-POS-e980f4ea-45
0.625
ALP-POS-e980f4ea-4
0.624
ALP-POS-ced8ea4d-29
0.623
ALP-POS-e980f4ea-31
0.621
ALP-POS-e980f4ea-42
0.614
BRU-THA-92256091-53
0.612
ALP-POS-e980f4ea-55
0.609
ALP-POS-e980f4ea-6
0.605
ALP-POS-ced8ea4d-3
0.602
ALP-POS-e980f4ea-26
0.600
ALP-POS-e980f4ea-60
0.598
ALP-POS-e980f4ea-54
0.587
ALP-POS-e980f4ea-57
0.585
ALP-POS-e980f4ea-28
0.574
ALP-POS-e980f4ea-58
0.570
ALP-POS-e980f4ea-7
0.570
ALP-POS-e980f4ea-64
0.569
ALP-POS-e980f4ea-41
0.558
ALP-POS-e980f4ea-63
0.552
ALP-POS-e980f4ea-62
0.552
ALP-POS-e980f4ea-59
0.551
ALP-POS-e980f4ea-27
0.550
ALP-POS-e980f4ea-9
0.549
ALP-POS-e980f4ea-19
0.535
BRU-THA-92256091-13
0.534
BRU-THA-92256091-9
0.534
ALP-POS-e980f4ea-40
0.534
ALP-POS-e980f4ea-17
0.529
ALP-POS-e980f4ea-67
0.526
ALP-POS-e980f4ea-52
0.526
ALP-POS-e980f4ea-37
0.526
ALP-POS-e980f4ea-46
0.525
ALP-POS-e980f4ea-53
0.525
ALP-POS-e980f4ea-5
0.521
ALP-POS-e980f4ea-11
0.521
ALP-POS-e980f4ea-49
0.521
ALP-POS-e980f4ea-39
0.521
ALP-POS-e980f4ea-51
0.521
ALP-POS-e980f4ea-12
0.521
ALP-POS-e980f4ea-47
0.520
ALP-POS-e980f4ea-34
0.517
ALP-POS-e980f4ea-18
0.516
BRU-THA-92256091-57
0.516
ALP-POS-e980f4ea-35
0.512
ALP-POS-e980f4ea-25
0.512
BRU-THA-92256091-1
0.508
ALP-POS-e980f4ea-32
0.508
ALP-POS-ced8ea4d-13
0.504
ALP-POS-ced8ea4d-22
0.504
BRU-THA-92256091-10
0.504
ALP-POS-e980f4ea-44
0.504
ALP-POS-e980f4ea-21
0.504
ALP-POS-e980f4ea-8
0.504
ALP-POS-e980f4ea-48
0.504
ALP-POS-e980f4ea-1
0.504
ALP-POS-e980f4ea-38
0.500
ALP-POS-e980f4ea-65
0.500
ALP-POS-ced8ea4d-33
0.500
ALP-POS-e980f4ea-36
0.500
ALP-POS-e980f4ea-16
0.500
BRU-THA-92256091-46
0.496
BRU-THA-92256091-38
0.496
BRU-THA-92256091-2
0.496
MIC-UNK-8686cf1d-7
0.492
ALP-POS-e980f4ea-20
0.492
ALP-POS-e980f4ea-10
0.492
BRU-THA-92256091-29
0.492
BRU-THA-92256091-36
0.492
BRU-THA-92256091-49
0.492
BRU-THA-92256091-50
0.492
ALP-POS-e980f4ea-24
0.492
BRU-THA-92256091-25
0.492
BRU-THA-92256091-69
0.492
BRU-THA-92256091-3
0.492
BRU-THA-92256091-5
0.492
ALP-POS-e980f4ea-30
0.489
BRU-THA-92256091-58
0.488
MIC-UNK-8686cf1d-8
0.488
BRU-THA-92256091-33
0.488
BRU-THA-92256091-34
0.488
ALP-POS-b0bc6a46-21
0.488
ALP-POS-02c6a514-36
0.488
BRU-THA-92256091-89
0.484
ALP-POS-e980f4ea-50
0.484
ALP-POS-e980f4ea-15
0.484
BRU-THA-92256091-71
0.484