Molecular Properties | |
SMILES: | CCOc1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 487.2 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 100.21 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-19
0.859
WIL-UNI-354943b6-14
0.853
BRU-THA-92256091-16
0.832
BRU-THA-92256091-17
0.832
ALP-POS-1245c3fa-1
0.806
BRU-THA-92256091-24
0.806
BRU-THA-92256091-22
0.798
WIL-UNI-354943b6-2
0.792
WIL-UNI-354943b6-10
0.792
MAT-POS-f2460aef-3
0.789
BRU-THA-92256091-8
0.785
BRU-THA-92256091-23
0.784
BRU-THA-92256091-15
0.781
BRU-THA-92256091-93
0.767
BRU-THA-92256091-31
0.765
ALP-POS-ced8ea4d-67
0.765
BRU-THA-92256091-80
0.760
BRU-THA-92256091-14
0.758
WIL-UNI-354943b6-3
0.758
WIL-UNI-354943b6-7
0.758
BRU-THA-92256091-20
0.758
BRU-THA-92256091-21
0.750
WIL-UNI-354943b6-5
0.750
ALP-POS-e980f4ea-67
0.745
WIL-UNI-354943b6-8
0.743
WIL-UNI-354943b6-12
0.743
BRU-THA-92256091-85
0.743
BRU-THA-92256091-84
0.738
BRU-THA-92256091-32
0.737
WIL-UNI-354943b6-9
0.735
BRU-THA-92256091-30
0.730
WIL-UNI-354943b6-1
0.728
BRU-THA-92256091-86
0.721
WIL-UNI-354943b6-13
0.714
WIL-UNI-354943b6-4
0.714
WIL-UNI-354943b6-11
0.714
ALP-POS-1245c3fa-2
0.710
BRU-THA-92256091-83
0.708
WIL-UNI-354943b6-6
0.701
BRU-THA-92256091-42
0.695
BRU-THA-92256091-59
0.689
BRU-THA-92256091-91
0.688
BRU-THA-92256091-75
0.683
BRU-THA-92256091-51
0.682
BRU-THA-92256091-64
0.682
BRU-THA-92256091-62
0.679
BRU-THA-92256091-61
0.673
BRU-THA-92256091-65
0.667
BRU-THA-92256091-44
0.664
BRU-THA-92256091-92
0.664
WIL-UNI-de614146-7
0.663
BRU-THA-92256091-52
0.661
BRU-THA-92256091-60
0.661
BRU-THA-92256091-79
0.657
BRU-THA-92256091-66
0.655
BRU-THA-92256091-67
0.655
BRU-THA-92256091-54
0.655
ALP-UNI-fe744232-30
0.654
ALP-POS-ced8ea4d-19
0.654
WIL-UNI-de614146-1
0.651
BRU-THA-92256091-55
0.649
BRU-THA-92256091-63
0.649
BRU-THA-92256091-68
0.649
BRU-THA-92256091-78
0.646
WIL-UNI-de614146-8
0.641
ALP-POS-ced8ea4d-12
0.636
ALP-POS-ced8ea4d-51
0.636
WIL-UNI-de614146-5
0.635
WIL-UNI-de614146-11
0.633
BRU-THA-92256091-12
0.633
BRU-THA-92256091-11
0.630
WIL-UNI-de614146-4
0.629
BRU-THA-92256091-7
0.627
BRU-THA-92256091-76
0.626
ALP-POS-e980f4ea-19
0.625
ALP-POS-b0bc6a46-22
0.621
ALP-POS-02c6a514-37
0.621
ALP-POS-305f6ec3-14
0.619
BRU-THA-92256091-77
0.619
ALP-POS-305f6ec3-33
0.617
WIL-UNI-de614146-6
0.611
ALP-POS-ced8ea4d-27
0.610
ALP-UNI-fe744232-18
0.607
ALP-POS-e980f4ea-51
0.607
ALP-POS-e980f4ea-12
0.607
WIL-UNI-de614146-10
0.606
WIL-UNI-de614146-15
0.606
ALP-POS-02c6a514-50
0.604
BRU-THA-92256091-6
0.604
ALP-UNI-fe744232-3
0.602
BRU-THA-92256091-88
0.602
ALP-POS-ced8ea4d-9
0.598
ALP-POS-ced8ea4d-52
0.596
WIL-UNI-de614146-13
0.595
PET-UNK-48ab5cd7-3
0.594
ALP-POS-305f6ec3-46
0.594
WIL-UNI-de614146-3
0.594
PET-UNK-48ab5cd7-2
0.594
WIL-UNI-de614146-2
0.593
ALF-EVA-719172df-6
0.592