Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)[C@H]1CCC2(CCOCC2)C1 |
MW: | 505.25 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 3.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-34
0.891
BRU-THA-92256091-36
0.874
BRU-THA-92256091-46
0.773
BRU-THA-92256091-50
0.755
BRU-THA-92256091-49
0.723
BRU-THA-92256091-1
0.718
BRU-THA-92256091-10
0.712
BRU-THA-92256091-37
0.702
BRU-THA-92256091-39
0.696
BRU-THA-92256091-2
0.691
BRU-THA-92256091-13
0.691
BRU-THA-92256091-9
0.691
BRU-THA-92256091-38
0.688
BRU-THA-92256091-40
0.687
BRU-THA-92256091-29
0.678
BRU-THA-92256091-48
0.669
BRU-THA-92256091-3
0.667
BRU-THA-92256091-5
0.667
BRU-THA-92256091-25
0.667
BRU-THA-92256091-69
0.667
BRU-THA-92256091-33
0.661
BRU-THA-92256091-71
0.655
BRU-THA-92256091-47
0.650
BRU-THA-92256091-72
0.650
BRU-THA-92256091-74
0.650
BRU-THA-92256091-70
0.647
BRU-THA-92256091-4
0.639
BRU-THA-92256091-89
0.636
BRU-THA-92256091-82
0.630
BRU-THA-92256091-81
0.630
ALP-POS-ced8ea4d-61
0.620
BRU-THA-92256091-73
0.615
BRU-THA-92256091-58
0.613
BRU-THA-92256091-57
0.608
BRU-THA-92256091-90
0.608
BRU-THA-92256091-35
0.600
BRU-THA-92256091-45
0.598
BRU-THA-92256091-53
0.598
ALP-POS-e980f4ea-61
0.587
ALP-POS-ced8ea4d-56
0.569
ALP-POS-ced8ea4d-14
0.566
ALP-POS-ced8ea4d-66
0.562
ALP-POS-ced8ea4d-6
0.560
ALP-POS-e980f4ea-56
0.553
BRU-THA-92256091-11
0.553
ALP-POS-e980f4ea-14
0.549
BRU-THA-92256091-75
0.549
ALP-POS-e980f4ea-66
0.545
ALP-POS-ced8ea4d-13
0.545
ALP-POS-ced8ea4d-22
0.545
WIL-UNI-354943b6-12
0.545
BRU-THA-92256091-80
0.545
ALP-POS-ced8ea4d-2
0.545
ALP-POS-e980f4ea-6
0.540
ALP-POS-ced8ea4d-43
0.540
BRU-THA-92256091-84
0.538
BRU-THA-92256091-7
0.538
BRU-THA-92256091-8
0.538
BRU-THA-92256091-22
0.538
ALP-POS-ced8ea4d-45
0.536
MAT-POS-f2460aef-3
0.533
BRU-THA-92256091-6
0.533
BRU-THA-92256091-79
0.532
ALP-POS-1245c3fa-1
0.529
BRU-THA-92256091-24
0.529
ALP-POS-1245c3fa-2
0.529
ALP-POS-e980f4ea-43
0.528
WIL-UNI-354943b6-4
0.528
ALP-POS-ced8ea4d-57
0.527
ALP-POS-e980f4ea-22
0.525
ALP-POS-e980f4ea-13
0.525
WIL-UNI-354943b6-10
0.525
BRU-THA-92256091-27
0.525
BRU-THA-92256091-32
0.525
BRU-THA-92256091-91
0.523
ALP-POS-e980f4ea-2
0.520
ALP-POS-e980f4ea-45
0.520
BRU-THA-92256091-54
0.519
BRU-THA-92256091-15
0.516
BRU-THA-92256091-19
0.516
WIL-UNI-354943b6-3
0.516
WIL-UNI-354943b6-9
0.516
WIL-UNI-354943b6-11
0.516
WIL-UNI-354943b6-13
0.516
BRU-THA-92256091-55
0.515
WIL-UNI-354943b6-2
0.512
BRU-THA-92256091-18
0.512
BRU-THA-92256091-21
0.512
BRU-THA-92256091-83
0.512
ALP-POS-e980f4ea-57
0.512
ALP-POS-ced8ea4d-31
0.511
ALP-POS-ced8ea4d-60
0.511
BRU-THA-92256091-30
0.508
BRU-THA-92256091-31
0.508
BRU-THA-92256091-23
0.508
WIL-UNI-354943b6-8
0.508
BRU-THA-92256091-26
0.508
ALP-POS-ced8ea4d-55
0.508
WIL-UNI-354943b6-6
0.508
ALP-POS-ced8ea4d-42
0.508