Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)[C@H]1COc2cc(F)ccc21 |
MW: | 503.18 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 3.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-33
0.798
ALP-POS-e980f4ea-33
0.762
BRU-THA-92256091-53
0.709
BRU-THA-92256091-35
0.697
BRU-THA-92256091-10
0.679
BRU-THA-92256091-39
0.679
BRU-THA-92256091-45
0.679
BRU-THA-92256091-2
0.673
BRU-THA-92256091-1
0.670
BRU-THA-92256091-9
0.657
BRU-THA-92256091-13
0.657
BRU-THA-92256091-38
0.655
BRU-THA-92256091-69
0.649
BRU-THA-92256091-70
0.643
BRU-THA-92256091-40
0.640
BRU-THA-92256091-71
0.637
BRU-THA-92256091-58
0.636
BRU-THA-92256091-25
0.634
BRU-THA-92256091-3
0.634
BRU-THA-92256091-5
0.634
BRU-THA-92256091-49
0.632
BRU-THA-92256091-50
0.632
BRU-THA-92256091-29
0.632
BRU-THA-92256091-33
0.628
BRU-THA-92256091-34
0.628
BRU-THA-92256091-37
0.626
BRU-THA-92256091-48
0.624
BRU-THA-92256091-47
0.619
BRU-THA-92256091-74
0.617
BRU-THA-92256091-36
0.617
BRU-THA-92256091-72
0.617
BRU-THA-92256091-81
0.612
BRU-THA-92256091-82
0.612
BRU-THA-92256091-56
0.608
BRU-THA-92256091-4
0.607
BRU-THA-92256091-46
0.607
BRU-THA-92256091-89
0.605
BRU-THA-92256091-11
0.604
BRU-THA-92256091-90
0.603
BRU-THA-92256091-73
0.597
BRU-THA-92256091-6
0.580
BRU-THA-92256091-80
0.578
BRU-THA-92256091-8
0.573
BRU-THA-92256091-7
0.573
ALP-POS-ced8ea4d-3
0.570
BRU-THA-92256091-75
0.569
BRU-THA-92256091-79
0.563
ALP-POS-1245c3fa-1
0.562
BRU-THA-92256091-24
0.562
BRU-THA-92256091-15
0.561
ALP-POS-1245c3fa-2
0.561
BRU-THA-92256091-22
0.558
BRU-THA-92256091-91
0.553
MAT-POS-f2460aef-3
0.553
WIL-UNI-354943b6-12
0.551
ALP-POS-ced8ea4d-29
0.550
BRU-THA-92256091-19
0.548
WIL-UNI-354943b6-3
0.547
ALP-POS-ced8ea4d-14
0.546
ALP-POS-ced8ea4d-23
0.545
WIL-UNI-354943b6-2
0.543
WIL-UNI-354943b6-10
0.543
BRU-THA-92256091-27
0.543
BRU-THA-92256091-32
0.543
BRU-THA-92256091-18
0.543
BRU-THA-92256091-21
0.542
ALP-POS-e980f4ea-3
0.542
BRU-THA-92256091-30
0.538
BRU-THA-92256091-23
0.538
BRU-THA-92256091-31
0.538
BRU-THA-92256091-26
0.538
WIL-UNI-354943b6-7
0.534
BRU-THA-92256091-17
0.534
BRU-THA-92256091-14
0.534
BRU-THA-92256091-16
0.534
BRU-THA-92256091-20
0.534
WIL-UNI-354943b6-9
0.533
BRU-THA-92256091-28
0.533
WIL-UNI-354943b6-4
0.533
WIL-UNI-354943b6-13
0.533
BRU-THA-92256091-84
0.532
WIL-UNI-354943b6-5
0.529
ALP-POS-e980f4ea-14
0.529
ALP-POS-ced8ea4d-66
0.529
BRU-THA-92256091-62
0.529
BRU-THA-92256091-83
0.528
ALP-POS-ced8ea4d-22
0.525
ALP-POS-ced8ea4d-13
0.525
WIL-UNI-354943b6-14
0.525
BRU-THA-92256091-85
0.525
WIL-UNI-354943b6-8
0.525
ALP-POS-e980f4ea-29
0.525
ALP-POS-ced8ea4d-2
0.525
WIL-UNI-354943b6-6
0.524
BRU-THA-92256091-54
0.524
BRU-THA-92256091-67
0.524
WIL-UNI-354943b6-11
0.520
BRU-THA-92256091-55
0.520
WIL-UNI-354943b6-1
0.516
ALP-POS-e980f4ea-23
0.516