Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1COC2(CCCC2)C1 |
MW: | 491.23 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
BRU-THA-92256091-48
0.761
ALP-POS-e980f4ea-56
0.738
BRU-THA-92256091-40
0.734
ALP-POS-ced8ea4d-57
0.730
ALP-POS-e980f4ea-13
0.728
ALP-POS-e980f4ea-22
0.728
ALP-POS-e980f4ea-14
0.704
ALP-POS-e980f4ea-66
0.701
ALP-POS-e980f4ea-61
0.700
ALP-POS-e980f4ea-6
0.691
ALP-POS-e980f4ea-2
0.685
ALP-POS-e980f4ea-42
0.670
ALP-POS-e980f4ea-45
0.667
ALP-POS-e980f4ea-43
0.661
ALP-POS-e980f4ea-60
0.638
ALP-POS-e980f4ea-4
0.636
ALP-POS-e980f4ea-55
0.635
ALP-POS-e980f4ea-31
0.632
ALP-POS-e980f4ea-33
0.612
ALP-POS-e980f4ea-26
0.612
ALP-POS-e980f4ea-29
0.595
ALP-POS-e980f4ea-3
0.585
ALP-POS-e980f4ea-23
0.585
ALP-POS-e980f4ea-62
0.564
BRU-THA-92256091-10
0.555
ALP-POS-e980f4ea-7
0.555
BRU-THA-92256091-36
0.554
BRU-THA-92256091-49
0.554
ALP-POS-e980f4ea-59
0.550
BRU-THA-92256091-9
0.547
BRU-THA-92256091-13
0.547
BRU-THA-92256091-1
0.546
BRU-THA-92256091-46
0.545
ALP-POS-e980f4ea-28
0.545
ALP-POS-e980f4ea-54
0.544
ALP-POS-e980f4ea-41
0.543
BRU-THA-92256091-39
0.542
ALP-POS-e980f4ea-64
0.540
ALP-POS-e980f4ea-63
0.538
BRU-THA-92256091-34
0.537
ALP-POS-e980f4ea-27
0.535
ALP-POS-e980f4ea-9
0.534
ALP-POS-e980f4ea-11
0.534
ALP-POS-e980f4ea-32
0.532
ALP-POS-ced8ea4d-13
0.529
ALP-POS-ced8ea4d-22
0.529
ALP-POS-ced8ea4d-56
0.528
BRU-THA-92256091-50
0.528
ALP-POS-ced8ea4d-61
0.528
ALP-POS-e980f4ea-37
0.525
ALP-POS-ced8ea4d-14
0.525
BRU-THA-92256091-37
0.524
ALP-POS-e980f4ea-19
0.521
BRU-THA-92256091-2
0.521
ALP-POS-e980f4ea-49
0.521
BRU-THA-92256091-38
0.521
ALP-POS-ced8ea4d-66
0.521
ALP-POS-e980f4ea-58
0.517
ALP-POS-e980f4ea-17
0.516
BRU-THA-92256091-70
0.516
ALP-POS-e980f4ea-52
0.513
ALP-POS-e980f4ea-67
0.513
ALP-POS-02c6a514-36
0.512
ALP-POS-b0bc6a46-21
0.512
BRU-THA-92256091-33
0.512
ALP-POS-e980f4ea-53
0.512
BRU-THA-92256091-56
0.512
ALP-POS-e980f4ea-51
0.508
ALP-POS-e980f4ea-12
0.508
ALP-POS-e980f4ea-5
0.508
ALP-POS-e980f4ea-39
0.508
BRU-THA-92256091-71
0.508
ALP-POS-ced8ea4d-6
0.508
ALP-POS-e980f4ea-47
0.508
ALP-POS-ced8ea4d-2
0.504
BRU-THA-92256091-3
0.504
BRU-THA-92256091-5
0.504
BRU-THA-92256091-25
0.504
BRU-THA-92256091-69
0.504
BRU-THA-92256091-72
0.504
BRU-THA-92256091-74
0.504
BRU-THA-92256091-29
0.504
ALP-POS-e980f4ea-18
0.504
ALP-POS-e980f4ea-46
0.500
ALP-POS-e980f4ea-35
0.500
ALP-POS-e980f4ea-25
0.500
BRU-THA-92256091-4
0.496
ALP-POS-ced8ea4d-45
0.496
ALP-POS-02c6a514-4
0.496
ALP-POS-b0bc6a46-4
0.496
ALP-POS-e980f4ea-40
0.496
ALP-POS-ced8ea4d-42
0.492
ALP-POS-e980f4ea-10
0.492
ALP-POS-e980f4ea-8
0.492
ALP-POS-e980f4ea-21
0.492
ALP-POS-e980f4ea-44
0.492
ALP-POS-e980f4ea-34
0.492
BRU-THA-92256091-58
0.489
BRU-THA-92256091-73
0.488
BRU-THA-92256091-81
0.488