Molecular Properties | |
SMILES: | Cc1ccccc1CN(C(=O)c1c[nH]cn1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 471.21 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 90.98 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-11
0.791
BRU-THA-92256091-7
0.785
BRU-THA-92256091-41
0.772
BRU-THA-92256091-28
0.770
ALP-POS-ced8ea4d-41
0.765
BRU-THA-92256091-87
0.743
ALP-POS-e980f4ea-41
0.735
BRU-THA-92256091-43
0.724
BRU-THA-92256091-26
0.660
BRU-THA-92256091-6
0.635
BRU-THA-92256091-8
0.627
BRU-THA-92256091-24
0.615
BRU-THA-92256091-13
0.607
ALP-POS-ced8ea4d-7
0.602
ALP-POS-1245c3fa-1
0.600
ALP-POS-ced8ea4d-64
0.600
BRU-THA-92256091-15
0.598
BRU-THA-92256091-22
0.594
ALP-POS-ced8ea4d-46
0.593
BRU-THA-92256091-2
0.593
BRU-THA-92256091-9
0.593
BRU-THA-92256091-38
0.591
ALP-POS-ced8ea4d-40
0.589
MAT-POS-f2460aef-3
0.589
BRU-THA-92256091-39
0.586
BRU-THA-92256091-74
0.584
BRU-THA-92256091-72
0.584
BRU-THA-92256091-19
0.583
ALP-POS-1245c3fa-2
0.583
WIL-UNI-354943b6-7
0.582
WIL-UNI-354943b6-10
0.578
BRU-THA-92256091-18
0.578
WIL-UNI-354943b6-2
0.578
BRU-THA-92256091-32
0.578
BRU-THA-92256091-1
0.577
BRU-THA-92256091-21
0.577
BRU-THA-92256091-35
0.575
BRU-THA-92256091-42
0.575
BRU-THA-92256091-45
0.574
ALP-POS-e980f4ea-7
0.573
BRU-THA-92256091-30
0.573
BRU-THA-92256091-31
0.573
BRU-THA-92256091-23
0.573
WIL-UNI-354943b6-12
0.571
ALP-POS-e980f4ea-64
0.571
BRU-THA-92256091-3
0.571
BRU-THA-92256091-10
0.571
BRU-THA-92256091-25
0.571
BRU-THA-92256091-69
0.571
BRU-THA-92256091-80
0.571
BRU-THA-92256091-85
0.571
BRU-THA-92256091-5
0.571
BRU-THA-92256091-49
0.570
WIL-UNI-354943b6-3
0.568
BRU-THA-92256091-17
0.568
BRU-THA-92256091-14
0.568
BRU-THA-92256091-16
0.568
BRU-THA-92256091-20
0.568
ALP-POS-e980f4ea-46
0.566
BRU-THA-92256091-33
0.566
BRU-THA-92256091-34
0.566
BRU-THA-92256091-40
0.565
BRU-THA-92256091-81
0.565
BRU-THA-92256091-82
0.565
ALP-POS-e980f4ea-40
0.562
BRU-THA-92256091-75
0.562
WIL-UNI-354943b6-5
0.562
WIL-UNI-354943b6-1
0.561
BRU-THA-92256091-71
0.561
BRU-THA-92256091-46
0.560
BRU-THA-92256091-88
0.560
BRU-THA-92256091-89
0.559
WIL-UNI-354943b6-14
0.558
WIL-UNI-354943b6-8
0.558
BRU-THA-92256091-79
0.557
BRU-THA-92256091-36
0.557
BRU-THA-92256091-50
0.557
BRU-THA-92256091-61
0.557
BRU-THA-92256091-29
0.557
BRU-THA-92256091-67
0.556
BRU-THA-92256091-70
0.556
ALP-POS-ced8ea4d-48
0.556
WIL-UNI-354943b6-9
0.553
ALP-POS-b0bc6a46-2
0.552
ALP-POS-02c6a514-2
0.552
WIL-UNI-354943b6-11
0.552
BRU-THA-92256091-51
0.552
BRU-THA-92256091-37
0.552
BRU-THA-92256091-64
0.552
BRU-THA-92256091-48
0.551
BRU-THA-92256091-68
0.551
BRU-THA-92256091-12
0.548
BRU-THA-92256091-62
0.548
BRU-THA-92256091-4
0.547
BRU-THA-92256091-52
0.547
BRU-THA-92256091-53
0.547
BRU-THA-92256091-57
0.543
BRU-THA-92256091-59
0.543
BRU-THA-92256091-86
0.543
BRU-THA-92256091-93
0.542