Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)[C@@H]1COc2ccccc2C1 |
MW: | 499.2 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-4
0.802
ALP-POS-e980f4ea-4
0.768
BRU-THA-92256091-9
0.691
BRU-THA-92256091-13
0.691
BRU-THA-92256091-1
0.688
BRU-THA-92256091-10
0.681
BRU-THA-92256091-39
0.681
BRU-THA-92256091-2
0.676
BRU-THA-92256091-70
0.675
BRU-THA-92256091-40
0.672
BRU-THA-92256091-3
0.667
BRU-THA-92256091-5
0.667
BRU-THA-92256091-29
0.664
BRU-THA-92256091-50
0.664
BRU-THA-92256091-81
0.658
BRU-THA-92256091-82
0.658
BRU-THA-92256091-38
0.658
BRU-THA-92256091-48
0.655
BRU-THA-92256091-35
0.655
BRU-THA-92256091-69
0.652
BRU-THA-92256091-25
0.652
BRU-THA-92256091-49
0.650
BRU-THA-92256091-33
0.647
BRU-THA-92256091-34
0.647
BRU-THA-92256091-71
0.641
BRU-THA-92256091-46
0.639
BRU-THA-92256091-47
0.636
BRU-THA-92256091-36
0.636
BRU-THA-92256091-72
0.636
BRU-THA-92256091-57
0.636
BRU-THA-92256091-74
0.636
BRU-THA-92256091-37
0.630
BRU-THA-92256091-45
0.625
BRU-THA-92256091-4
0.625
BRU-THA-92256091-89
0.623
MIC-UNK-8686cf1d-1
0.617
BRU-THA-92256091-73
0.615
BRU-THA-92256091-56
0.613
BRU-THA-92256091-90
0.608
BRU-THA-92256091-53
0.585
BRU-THA-92256091-11
0.566
BRU-THA-92256091-7
0.565
BRU-THA-92256091-8
0.552
MIC-UNK-8686cf1d-5
0.551
BRU-THA-92256091-6
0.546
ALP-POS-ced8ea4d-13
0.545
ALP-POS-ced8ea4d-22
0.545
BRU-THA-92256091-80
0.545
ALP-POS-ced8ea4d-14
0.540
BRU-THA-92256091-27
0.537
BRU-THA-92256091-75
0.537
ALP-POS-ced8ea4d-66
0.537
BRU-THA-92256091-26
0.532
ALP-POS-ced8ea4d-29
0.532
BRU-THA-92256091-79
0.532
ALP-POS-ced8ea4d-42
0.531
BRU-THA-92256091-54
0.531
ALP-POS-ced8ea4d-55
0.531
ALP-POS-1245c3fa-1
0.529
BRU-THA-92256091-24
0.529
ALP-POS-1245c3fa-2
0.529
MIC-UNK-8686cf1d-3
0.528
ALP-POS-ced8ea4d-43
0.528
BRU-THA-92256091-55
0.527
ALP-POS-e980f4ea-13
0.525
ALP-POS-e980f4ea-22
0.525
BRU-THA-92256091-22
0.525
BRU-THA-92256091-32
0.525
ALP-POS-e980f4ea-14
0.524
ALP-POS-e980f4ea-42
0.524
ALP-POS-ced8ea4d-45
0.524
BRU-THA-92256091-76
0.523
MAT-POS-f2460aef-3
0.521
ALP-POS-e980f4ea-66
0.520
ALP-POS-ced8ea4d-2
0.520
WIL-UNI-354943b6-12
0.520
MIC-UNK-8686cf1d-7
0.520
BRU-THA-92256091-19
0.516
BRU-THA-92256091-15
0.516
WIL-UNI-354943b6-3
0.516
ALP-POS-e980f4ea-43
0.516
ALP-POS-ced8ea4d-23
0.515
ALP-POS-ced8ea4d-57
0.515
BRU-THA-92256091-18
0.512
WIL-UNI-354943b6-2
0.512
WIL-UNI-354943b6-10
0.512
BRU-THA-92256091-91
0.511
BRU-THA-92256091-30
0.508
BRU-THA-92256091-23
0.508
BRU-THA-92256091-31
0.508
ALP-POS-e980f4ea-29
0.508
WIL-UNI-354943b6-8
0.508
BRU-THA-92256091-85
0.508
ALP-POS-e980f4ea-55
0.508
ALP-POS-ced8ea4d-56
0.508
MIC-UNK-8686cf1d-4
0.508
ALP-POS-ced8ea4d-61
0.508
BRU-THA-92256091-17
0.504
BRU-THA-92256091-14
0.504
BRU-THA-92256091-20
0.504