Molecular Properties | |
SMILES: | COC1CC2(C1)CC(N(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1)C2 |
MW: | 491.23 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 100.21 |
cLogP: | 3.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
BRU-THA-92256091-37
0.762
ALP-POS-e980f4ea-61
0.726
ALP-POS-e980f4ea-13
0.723
ALP-POS-e980f4ea-22
0.723
ALP-POS-ced8ea4d-6
0.722
ALP-POS-e980f4ea-66
0.712
ALP-POS-e980f4ea-56
0.701
ALP-POS-e980f4ea-14
0.698
ALP-POS-e980f4ea-2
0.695
ALP-POS-e980f4ea-57
0.691
ALP-POS-e980f4ea-55
0.688
ALP-POS-e980f4ea-43
0.685
ALP-POS-e980f4ea-45
0.676
ALP-POS-e980f4ea-42
0.664
ALP-POS-e980f4ea-60
0.661
ALP-POS-e980f4ea-31
0.640
ALP-POS-e980f4ea-4
0.629
ALP-POS-e980f4ea-33
0.619
ALP-POS-e980f4ea-26
0.619
ALP-POS-e980f4ea-29
0.616
ALP-POS-e980f4ea-3
0.605
ALP-POS-e980f4ea-23
0.605
BRU-THA-92256091-3
0.588
BRU-THA-92256091-5
0.588
ALP-POS-e980f4ea-28
0.579
ALP-POS-e980f4ea-54
0.578
ALP-POS-e980f4ea-7
0.575
BRU-THA-92256091-36
0.573
BRU-THA-92256091-34
0.569
ALP-POS-e980f4ea-19
0.568
BRU-THA-92256091-46
0.563
ALP-POS-e980f4ea-64
0.560
ALP-POS-e980f4ea-67
0.558
ALP-POS-e980f4ea-52
0.558
ALP-POS-e980f4ea-63
0.557
BRU-THA-92256091-40
0.555
ALP-POS-e980f4ea-27
0.555
ALP-POS-e980f4ea-9
0.554
BRU-THA-92256091-9
0.553
BRU-THA-92256091-13
0.553
BRU-THA-92256091-1
0.552
ALP-POS-e980f4ea-41
0.549
ALP-POS-e980f4ea-58
0.548
BRU-THA-92256091-10
0.547
BRU-THA-92256091-25
0.547
ALP-POS-e980f4ea-18
0.546
ALP-POS-e980f4ea-37
0.544
ALP-POS-e980f4ea-62
0.543
ALP-POS-e980f4ea-59
0.542
BRU-THA-92256091-56
0.540
ALP-POS-e980f4ea-51
0.539
ALP-POS-e980f4ea-12
0.539
ALP-POS-e980f4ea-39
0.539
BRU-THA-92256091-2
0.539
ALP-POS-e980f4ea-49
0.539
ALP-POS-e980f4ea-40
0.538
ALP-POS-e980f4ea-15
0.537
ALP-POS-e980f4ea-32
0.537
ALP-POS-e980f4ea-34
0.534
BRU-THA-92256091-50
0.533
BRU-THA-92256091-72
0.533
BRU-THA-92256091-49
0.533
BRU-THA-92256091-74
0.533
ALP-POS-ced8ea4d-61
0.533
ALP-POS-e980f4ea-46
0.529
BRU-THA-92256091-81
0.529
BRU-THA-92256091-82
0.529
BRU-THA-92256091-48
0.528
ALP-POS-e980f4ea-5
0.526
ALP-POS-e980f4ea-11
0.526
ALP-POS-b0bc6a46-4
0.525
ALP-POS-02c6a514-4
0.525
BRU-THA-92256091-38
0.525
ALP-POS-ced8ea4d-66
0.525
BRU-THA-92256091-4
0.525
ALP-POS-ced8ea4d-13
0.521
ALP-POS-ced8ea4d-22
0.521
BRU-THA-92256091-39
0.521
ALP-POS-e980f4ea-44
0.521
BRU-THA-92256091-69
0.521
ALP-POS-e980f4ea-17
0.521
BRU-THA-92256091-29
0.521
ALP-POS-e980f4ea-48
0.521
ALP-POS-02c6a514-36
0.517
ALP-POS-b0bc6a46-21
0.517
BRU-THA-92256091-33
0.517
ALP-POS-e980f4ea-16
0.517
ALP-POS-ced8ea4d-14
0.517
ALP-POS-e980f4ea-53
0.516
BRU-THA-92256091-73
0.516
BRU-THA-92256091-71
0.512
ALP-POS-e980f4ea-50
0.512
ALP-POS-e980f4ea-47
0.512
ALP-POS-02c6a514-15
0.508
ALP-POS-b0bc6a46-9
0.508
ALP-POS-ced8ea4d-56
0.508
ALP-POS-e980f4ea-10
0.508
ALP-POS-e980f4ea-20
0.508
BRU-THA-92256091-70
0.508
ALP-POS-e980f4ea-38
0.504