Molecular Properties | |
SMILES: | CC1CC(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)CCO1 |
MW: | 466.2 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 97.56 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
BRU-THA-92256091-29
0.798
ALP-POS-ced8ea4d-60
0.761
ALP-POS-ced8ea4d-66
0.760
ALP-POS-ced8ea4d-13
0.740
ALP-POS-ced8ea4d-22
0.740
ALP-POS-ced8ea4d-2
0.736
ALP-POS-ced8ea4d-56
0.731
ALP-POS-e980f4ea-43
0.729
ALP-POS-ced8ea4d-14
0.729
ALP-POS-ced8ea4d-45
0.722
ALP-POS-ced8ea4d-42
0.712
ALP-POS-ced8ea4d-6
0.688
ALP-POS-ced8ea4d-31
0.684
ALP-POS-ced8ea4d-61
0.681
ALP-POS-ced8ea4d-55
0.681
ALP-POS-ced8ea4d-26
0.661
ALP-POS-ced8ea4d-57
0.661
ALP-POS-ced8ea4d-4
0.658
ALP-POS-ced8ea4d-29
0.640
ALP-POS-ced8ea4d-23
0.632
ALP-POS-ced8ea4d-3
0.632
ALP-POS-ced8ea4d-33
0.621
BRU-THA-92256091-47
0.613
BRU-THA-92256091-1
0.605
ALP-POS-ced8ea4d-7
0.602
BRU-THA-92256091-3
0.600
BRU-THA-92256091-5
0.600
BRU-THA-92256091-69
0.600
BRU-THA-92256091-2
0.593
BRU-THA-92256091-71
0.590
ALP-POS-95f71980-9
0.589
BRU-THA-92256091-10
0.586
ALP-POS-ced8ea4d-64
0.586
BRU-THA-92256091-49
0.585
BRU-THA-92256091-33
0.581
BRU-THA-92256091-13
0.579
BRU-THA-92256091-9
0.579
BRU-THA-92256091-38
0.578
ALP-POS-ced8ea4d-63
0.578
ALP-POS-ced8ea4d-28
0.577
BRU-THA-92256091-4
0.575
ALP-POS-ced8ea4d-41
0.574
BRU-THA-92256091-39
0.573
ALP-POS-95f71980-39
0.573
BRU-THA-92256091-74
0.571
BRU-THA-92256091-72
0.571
BRU-THA-92256091-70
0.570
ALP-POS-ced8ea4d-54
0.570
ALP-POS-ced8ea4d-27
0.566
ALP-POS-95f71980-14
0.565
ALP-POS-95f71980-1
0.564
ALP-POS-02c6a514-50
0.561
ALP-POS-ced8ea4d-37
0.560
BRU-THA-92256091-25
0.559
ALP-POS-ced8ea4d-62
0.559
BRU-THA-92256091-50
0.558
ALP-POS-ced8ea4d-9
0.557
ALP-POS-ced8ea4d-11
0.556
ALP-POS-95f71980-16
0.556
ALP-POS-95f71980-13
0.556
BRU-THA-92256091-34
0.555
ALP-UNI-fe744232-22
0.555
ALP-UNI-fe744232-13
0.553
BRU-THA-92256091-73
0.553
ALP-UNI-fe744232-18
0.552
ALP-POS-ced8ea4d-19
0.552
ALP-POS-95f71980-20
0.551
ALP-UNI-fe744232-9
0.551
ALP-POS-e980f4ea-60
0.549
ALP-POS-ced8ea4d-17
0.549
ALP-POS-ced8ea4d-53
0.549
BRU-THA-92256091-89
0.548
ALP-POS-ced8ea4d-65
0.548
ALP-POS-e980f4ea-66
0.547
ALP-UNI-fe744232-3
0.547
ALP-POS-ced8ea4d-67
0.547
ALP-POS-95f71980-31
0.546
ALP-POS-95f71980-5
0.546
BRU-THA-92256091-36
0.545
ALP-POS-ced8ea4d-59
0.545
ALP-POS-95f71980-10
0.545
ALP-POS-ced8ea4d-49
0.542
ALP-POS-ced8ea4d-52
0.542
ALP-POS-ced8ea4d-5
0.542
ALP-POS-ced8ea4d-39
0.542
ALP-UNI-fe744232-14
0.542
ALP-POS-ced8ea4d-58
0.542
ALP-POS-95f71980-12
0.542
BRU-THA-92256091-37
0.541
BRU-THA-92256091-82
0.541
BRU-THA-92256091-81
0.541
ALP-POS-ced8ea4d-46
0.541
ALP-UNI-fe744232-11
0.541
BRU-THA-92256091-40
0.541
ALP-POS-ced8ea4d-47
0.540
ALP-POS-95f71980-34
0.540
ALP-POS-95f71980-28
0.540
BRU-THA-92256091-56
0.540
ALP-POS-95f71980-32
0.540
ALP-POS-ced8ea4d-32
0.540