Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CC2CCCC2C1 |
MW: | 475.24 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 90.98 |
cLogP: | 4.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-e980f4ea-13
0.809
ALP-POS-e980f4ea-22
0.809
ALP-POS-e980f4ea-14
0.760
ALP-POS-e980f4ea-45
0.752
BRU-THA-92256091-38
0.743
ALP-POS-e980f4ea-66
0.740
ALP-POS-e980f4ea-42
0.738
ALP-POS-e980f4ea-61
0.738
ALP-POS-e980f4ea-60
0.733
ALP-POS-e980f4ea-55
0.731
ALP-POS-e980f4ea-43
0.728
ALP-POS-e980f4ea-56
0.712
ALP-POS-ced8ea4d-2
0.702
ALP-POS-e980f4ea-6
0.695
ALP-POS-e980f4ea-57
0.685
ALP-POS-e980f4ea-31
0.679
ALP-POS-e980f4ea-26
0.655
ALP-POS-e980f4ea-4
0.652
BRU-THA-92256091-71
0.642
ALP-POS-e980f4ea-3
0.642
ALP-POS-e980f4ea-33
0.642
ALP-POS-e980f4ea-23
0.642
ALP-POS-e980f4ea-29
0.639
BRU-THA-92256091-2
0.632
BRU-THA-92256091-13
0.617
BRU-THA-92256091-9
0.617
BRU-THA-92256091-69
0.609
BRU-THA-92256091-39
0.609
ALP-POS-e980f4ea-63
0.606
ALP-POS-e980f4ea-28
0.602
ALP-POS-e980f4ea-7
0.598
BRU-THA-92256091-10
0.595
ALP-POS-e980f4ea-27
0.590
ALP-POS-e980f4ea-54
0.585
ALP-POS-e980f4ea-41
0.583
ALP-POS-ced8ea4d-22
0.582
ALP-POS-ced8ea4d-13
0.582
ALP-POS-e980f4ea-64
0.581
ALP-POS-e980f4ea-17
0.579
ALP-POS-e980f4ea-62
0.577
BRU-THA-92256091-33
0.575
ALP-POS-e980f4ea-9
0.574
ALP-POS-e980f4ea-19
0.574
BRU-THA-92256091-1
0.571
BRU-THA-92256091-46
0.569
ALP-POS-e980f4ea-58
0.568
BRU-THA-92256091-5
0.566
BRU-THA-92256091-3
0.566
BRU-THA-92256091-74
0.565
BRU-THA-92256091-72
0.565
BRU-THA-92256091-36
0.565
BRU-THA-92256091-70
0.564
ALP-POS-e980f4ea-52
0.564
ALP-POS-e980f4ea-37
0.564
ALP-POS-e980f4ea-67
0.564
ALP-POS-02c6a514-36
0.562
ALP-POS-b0bc6a46-21
0.562
ALP-POS-ced8ea4d-14
0.561
ALP-POS-e980f4ea-5
0.559
ALP-POS-e980f4ea-12
0.559
ALP-POS-e980f4ea-11
0.559
ALP-POS-e980f4ea-51
0.559
BRU-THA-92256091-47
0.555
BRU-THA-92256091-25
0.553
BRU-THA-92256091-29
0.552
ALP-POS-e980f4ea-59
0.548
ALP-POS-e980f4ea-16
0.548
BRU-THA-92256091-34
0.548
BRU-THA-92256091-40
0.547
BRU-THA-92256091-81
0.547
BRU-THA-92256091-82
0.547
BRU-THA-92256091-73
0.546
ALP-POS-e980f4ea-49
0.545
ALP-POS-e980f4ea-39
0.545
ALP-POS-ced8ea4d-66
0.544
ALP-POS-ced8ea4d-45
0.543
BRU-THA-92256091-4
0.542
ALP-POS-e980f4ea-32
0.542
BRU-THA-92256091-50
0.538
ALP-POS-e980f4ea-18
0.538
BRU-THA-92256091-49
0.538
ALP-POS-ced8ea4d-42
0.538
ALP-POS-ced8ea4d-61
0.538
ALP-POS-b0bc6a46-26
0.537
ALP-POS-02c6a514-42
0.537
ALP-POS-e980f4ea-35
0.534
ALP-POS-e980f4ea-40
0.530
ALP-POS-ced8ea4d-60
0.529
ALP-POS-e980f4ea-34
0.526
ALP-POS-e980f4ea-44
0.526
ALP-POS-b0bc6a46-28
0.521
ALP-POS-e980f4ea-38
0.521
ALP-POS-e980f4ea-46
0.521
ALP-POS-02c6a514-47
0.521
BRU-THA-92256091-37
0.521
ALP-POS-e980f4ea-53
0.521
ALP-POS-e980f4ea-65
0.521
ALP-POS-ced8ea4d-43
0.521
ALP-POS-e980f4ea-36
0.521
ALP-POS-e980f4ea-25
0.521