Molecular Properties | |
SMILES: | Cc1ccccc1[C@H](C)N(C(=O)c1c[nH]cn1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 485.22 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 90.98 |
cLogP: | 4.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-58
0.775
BRU-THA-92256091-6
0.758
ALP-POS-e980f4ea-58
0.752
BRU-THA-92256091-27
0.660
BRU-THA-92256091-7
0.635
BRU-THA-92256091-11
0.621
BRU-THA-92256091-8
0.619
BRU-THA-92256091-24
0.607
ALP-POS-1245c3fa-1
0.593
BRU-THA-92256091-28
0.588
BRU-THA-92256091-22
0.587
WIL-UNI-354943b6-10
0.586
WIL-UNI-354943b6-2
0.586
BRU-THA-92256091-18
0.586
MAT-POS-f2460aef-3
0.582
BRU-THA-92256091-23
0.580
BRU-THA-92256091-41
0.578
BRU-THA-92256091-15
0.577
BRU-THA-92256091-19
0.577
ALP-POS-ced8ea4d-54
0.577
BRU-THA-92256091-14
0.575
BRU-THA-92256091-17
0.575
BRU-THA-92256091-9
0.571
BRU-THA-92256091-13
0.571
BRU-THA-92256091-2
0.571
BRU-THA-92256091-21
0.570
BRU-THA-92256091-38
0.570
BRU-THA-92256091-35
0.569
ALP-POS-e980f4ea-54
0.569
BRU-THA-92256091-88
0.568
BRU-THA-92256091-45
0.568
BRU-THA-92256091-31
0.566
WIL-UNI-354943b6-12
0.565
BRU-THA-92256091-3
0.565
BRU-THA-92256091-5
0.565
BRU-THA-92256091-80
0.565
BRU-THA-92256091-85
0.565
ALP-POS-1245c3fa-2
0.562
WIL-UNI-354943b6-3
0.561
WIL-UNI-354943b6-7
0.561
BRU-THA-92256091-20
0.561
BRU-THA-92256091-16
0.561
WIL-UNI-354943b6-13
0.559
BRU-THA-92256091-32
0.558
WIL-UNI-354943b6-5
0.557
BRU-THA-92256091-1
0.557
BRU-THA-92256091-75
0.557
BRU-THA-92256091-42
0.556
BRU-THA-92256091-83
0.555
BRU-THA-92256091-46
0.555
BRU-THA-92256091-53
0.555
BRU-THA-92256091-30
0.553
WIL-UNI-354943b6-8
0.552
WIL-UNI-354943b6-14
0.552
BRU-THA-92256091-25
0.552
BRU-THA-92256091-69
0.552
BRU-THA-92256091-10
0.552
BRU-THA-92256091-39
0.552
BRU-THA-92256091-72
0.551
BRU-THA-92256091-49
0.551
BRU-THA-92256091-74
0.551
BRU-THA-92256091-36
0.551
BRU-THA-92256091-79
0.551
BRU-THA-92256091-70
0.550
WIL-UNI-354943b6-9
0.547
BRU-THA-92256091-33
0.547
BRU-THA-92256091-34
0.547
WIL-UNI-354943b6-11
0.546
BRU-THA-92256091-37
0.546
BRU-THA-92256091-82
0.546
BRU-THA-92256091-81
0.546
BRU-THA-92256091-87
0.545
WIL-UNI-354943b6-1
0.542
BRU-THA-92256091-12
0.542
BRU-THA-92256091-71
0.542
BRU-THA-92256091-43
0.542
BRU-THA-92256091-86
0.538
BRU-THA-92256091-29
0.538
BRU-THA-92256091-50
0.538
BRU-THA-92256091-57
0.538
WIL-UNI-354943b6-6
0.537
BRU-THA-92256091-93
0.537
WIL-UNI-354943b6-4
0.533
BRU-THA-92256091-40
0.533
BRU-THA-92256091-64
0.533
BRU-THA-92256091-92
0.533
BRU-THA-92256091-58
0.532
BRU-THA-92256091-62
0.529
BRU-THA-92256091-4
0.529
BRU-THA-92256091-47
0.528
BRU-THA-92256091-91
0.528
BRU-THA-92256091-89
0.528
ALP-POS-e980f4ea-41
0.526
ALP-POS-ced8ea4d-41
0.526
BRU-THA-92256091-59
0.525
BRU-THA-92256091-61
0.525
BRU-THA-92256091-66
0.525
BRU-THA-92256091-67
0.525
BRU-THA-92256091-51
0.521
BRU-THA-92256091-65
0.521