Molecular Properties | |
SMILES: | N#Cc1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 468.17 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 114.77 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
BRU-THA-92256091-24
0.806
ALP-POS-1245c3fa-1
0.806
BRU-THA-92256091-21
0.804
BRU-THA-92256091-22
0.798
BRU-THA-92256091-18
0.792
MAT-POS-f2460aef-3
0.789
BRU-THA-92256091-8
0.785
BRU-THA-92256091-15
0.781
BRU-THA-92256091-19
0.781
WIL-UNI-354943b6-7
0.776
WIL-UNI-354943b6-10
0.773
ALP-UNI-fe744232-3
0.765
BRU-THA-92256091-23
0.765
WIL-UNI-354943b6-14
0.760
BRU-THA-92256091-80
0.760
BRU-THA-92256091-85
0.760
WIL-UNI-354943b6-3
0.758
BRU-THA-92256091-16
0.758
BRU-THA-92256091-14
0.758
BRU-THA-92256091-17
0.758
BRU-THA-92256091-20
0.758
WIL-UNI-354943b6-5
0.750
WIL-UNI-354943b6-1
0.745
WIL-UNI-354943b6-8
0.743
WIL-UNI-354943b6-12
0.743
WIL-UNI-354943b6-9
0.735
WIL-UNI-354943b6-13
0.731
BRU-THA-92256091-30
0.730
BRU-THA-92256091-86
0.721
ALP-POS-780445ae-6
0.720
BRU-THA-92256091-32
0.720
WIL-UNI-354943b6-4
0.714
WIL-UNI-354943b6-11
0.714
ALP-POS-02c6a514-39
0.714
ALP-POS-b0bc6a46-24
0.714
BRU-THA-92256091-31
0.713
ALP-POS-1245c3fa-2
0.710
BRU-THA-92256091-83
0.708
BRU-THA-92256091-59
0.705
BRU-THA-92256091-93
0.701
WIL-UNI-354943b6-6
0.701
BRU-THA-92256091-91
0.688
BRU-THA-92256091-54
0.685
BRU-THA-92256091-75
0.683
BRU-THA-92256091-51
0.682
BRU-THA-92256091-42
0.679
BRU-THA-92256091-62
0.679
BRU-THA-92256091-60
0.676
BRU-THA-92256091-84
0.676
BRU-THA-92256091-61
0.673
BRU-THA-92256091-79
0.673
BRU-THA-92256091-65
0.667
BRU-THA-92256091-64
0.667
BRU-THA-92256091-44
0.664
BRU-THA-92256091-55
0.664
BRU-THA-92256091-78
0.661
BRU-THA-92256091-52
0.661
BRU-THA-92256091-66
0.655
BRU-THA-92256091-67
0.655
BRU-THA-92256091-68
0.649
BRU-THA-92256091-63
0.649
BRU-THA-92256091-11
0.646
ALP-POS-02c6a514-33
0.644
BRU-THA-92256091-76
0.640
BRU-THA-92256091-92
0.634
BRU-THA-92256091-77
0.632
BRU-THA-92256091-7
0.627
BRU-THA-92256091-6
0.619
BRU-THA-92256091-12
0.618
ALP-POS-305f6ec3-33
0.617
ALP-POS-ced8ea4d-27
0.610
ALP-POS-02c6a514-50
0.604
ALP-POS-305f6ec3-14
0.604
ALP-POS-ced8ea4d-67
0.602
BRU-THA-92256091-88
0.602
WIL-UNI-de614146-7
0.600
ALP-POS-ced8ea4d-9
0.598
ALP-UNI-fe744232-14
0.596
ALP-POS-305f6ec3-50
0.596
PET-UNK-48ab5cd7-3
0.594
ALP-POS-305f6ec3-46
0.594
WIL-UNI-de614146-1
0.593
ALP-UNI-fe744232-18
0.593
ALP-POS-ced8ea4d-19
0.593
ALP-POS-95f71980-17
0.590
ALP-POS-ced8ea4d-28
0.590
ALP-POS-305f6ec3-48
0.589
PET-UNK-48ab5cd7-1
0.589
BRU-THA-92256091-26
0.586
ALP-POS-ced8ea4d-62
0.586
ALP-POS-95f71980-4
0.585
ALP-POS-95f71980-23
0.583
ALP-POS-e980f4ea-67
0.583
LON-WEI-2e27a2e5-2
0.583
ALP-POS-ced8ea4d-52
0.582
ALP-POS-ced8ea4d-5
0.582
ALP-POS-ced8ea4d-11
0.582
ALP-POS-e980f4ea-27
0.581
ALP-UNI-fe744232-22
0.580
ALP-UNI-fe744232-30
0.580