Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1cccnc1)C(=O)c1cocn1 |
MW: | 459.17 |
Fraction sp3: | 0.16 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 101.22 |
cLogP: | 3.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-ced8ea4d-64
0.851
ALP-POS-ced8ea4d-41
0.785
BRU-THA-92256091-11
0.753
ALP-POS-ced8ea4d-40
0.745
ALP-POS-ced8ea4d-48
0.733
ALP-POS-ced8ea4d-46
0.730
ALP-POS-ced8ea4d-28
0.667
ALP-POS-e980f4ea-7
0.667
ALP-POS-ced8ea4d-54
0.657
ALP-POS-ced8ea4d-27
0.653
ALP-POS-ced8ea4d-66
0.647
ALP-POS-95f71980-9
0.646
ALP-POS-02c6a514-50
0.646
ALP-POS-ced8ea4d-13
0.644
ALP-POS-ced8ea4d-22
0.644
ALP-UNI-fe744232-3
0.644
ALP-POS-ced8ea4d-9
0.640
BRU-THA-92256091-7
0.639
ALP-POS-ced8ea4d-39
0.637
ALP-POS-95f71980-13
0.637
ALP-POS-ced8ea4d-14
0.635
ALP-POS-95f71980-14
0.634
ALP-UNI-fe744232-18
0.634
ALP-POS-ced8ea4d-19
0.634
ALP-UNI-fe744232-9
0.631
ALP-POS-ced8ea4d-37
0.627
ALP-POS-ced8ea4d-67
0.627
ALP-POS-ced8ea4d-2
0.625
ALP-POS-ced8ea4d-62
0.625
ALP-UNI-fe744232-12
0.625
ALP-POS-95f71980-37
0.625
ALP-POS-ced8ea4d-49
0.621
ALP-POS-ced8ea4d-52
0.621
ALP-POS-ced8ea4d-5
0.621
ALP-POS-ced8ea4d-11
0.621
ALP-POS-95f71980-16
0.621
ALP-UNI-fe744232-14
0.621
ALP-POS-ced8ea4d-58
0.619
ALP-POS-ced8ea4d-12
0.615
ALP-POS-95f71980-36
0.615
ALP-POS-ced8ea4d-63
0.615
ALP-POS-95f71980-1
0.615
ALP-POS-95f71980-20
0.615
ALP-POS-ced8ea4d-51
0.615
ALP-POS-ced8ea4d-45
0.613
ALP-POS-ced8ea4d-35
0.611
ALP-POS-95f71980-5
0.610
ALP-POS-95f71980-31
0.610
ALP-POS-95f71980-39
0.610
ALP-POS-ced8ea4d-29
0.607
ALP-POS-95f71980-40
0.607
ALP-POS-ced8ea4d-56
0.607
ALP-POS-ced8ea4d-59
0.607
ALP-POS-95f71980-12
0.604
ALP-UNI-fe744232-22
0.604
ALP-UNI-fe744232-30
0.604
ALP-UNI-fe744232-15
0.604
BRU-THA-92256091-27
0.602
ALP-POS-ced8ea4d-33
0.602
ALP-POS-ced8ea4d-43
0.602
ALP-UNI-fe744232-11
0.602
ALP-POS-ced8ea4d-16
0.598
ALP-POS-95f71980-41
0.598
ALP-UNI-fe744232-1
0.598
ALP-UNI-fe744232-17
0.598
ALP-POS-ced8ea4d-44
0.598
ALP-POS-95f71980-3
0.598
ALP-POS-95f71980-8
0.596
ALP-POS-ced8ea4d-6
0.596
ALP-POS-ced8ea4d-24
0.596
KHR-WEI-75c61062-1
0.596
ALP-POS-02c6a514-2
0.592
ALP-POS-b0bc6a46-2
0.592
ALP-POS-ced8ea4d-61
0.591
ALP-POS-ced8ea4d-36
0.591
ALP-POS-ced8ea4d-55
0.591
ALP-POS-ced8ea4d-21
0.591
ALP-POS-ced8ea4d-42
0.591
ALP-POS-ced8ea4d-10
0.587
ALP-POS-ced8ea4d-34
0.587
ALP-POS-ced8ea4d-57
0.586
BRU-THA-92256091-87
0.586
ALP-POS-95f71980-34
0.586
ALP-POS-ced8ea4d-23
0.586
ALP-UNI-fe744232-13
0.586
ALP-POS-95f71980-27
0.586
ALP-POS-ced8ea4d-4
0.584
ALP-POS-ced8ea4d-20
0.582
ALP-UNI-fe744232-19
0.582
ALP-POS-95f71980-26
0.582
ALP-POS-ced8ea4d-17
0.582
ALP-POS-ced8ea4d-38
0.582
ALP-POS-ced8ea4d-53
0.582
ALP-POS-ced8ea4d-31
0.580
ALP-POS-ced8ea4d-60
0.580
ALP-POS-95f71980-33
0.577
ALP-UNI-fe744232-25
0.577
ALP-POS-95f71980-10
0.577
ALP-POS-ced8ea4d-8
0.577
ALP-POS-95f71980-30
0.575