Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(-n2cnnc2)cc1 |
MW: | 510.19 |
Fraction sp3: | 0.11 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 121.69 |
cLogP: | 3.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
WIL-UNI-354943b6-1
0.837
BRU-THA-92256091-85
0.798
ALP-POS-1245c3fa-1
0.789
BRU-THA-92256091-24
0.789
BRU-THA-92256091-22
0.781
ALP-UNI-fe744232-14
0.778
WIL-UNI-354943b6-2
0.776
MAT-POS-f2460aef-3
0.773
BRU-THA-92256091-8
0.768
BRU-THA-92256091-15
0.765
BRU-THA-92256091-19
0.765
BRU-THA-92256091-18
0.758
WIL-UNI-354943b6-10
0.758
BRU-THA-92256091-21
0.752
BRU-THA-92256091-23
0.750
WIL-UNI-354943b6-14
0.745
BRU-THA-92256091-14
0.743
BRU-THA-92256091-16
0.743
BRU-THA-92256091-20
0.743
BRU-THA-92256091-17
0.743
WIL-UNI-354943b6-3
0.743
WIL-UNI-354943b6-5
0.735
BRU-THA-92256091-80
0.728
WIL-UNI-354943b6-8
0.728
WIL-UNI-354943b6-12
0.728
BRU-THA-92256091-86
0.724
WIL-UNI-354943b6-9
0.721
BRU-THA-92256091-93
0.720
BRU-THA-92256091-32
0.706
WIL-UNI-354943b6-11
0.701
WIL-UNI-354943b6-4
0.701
WIL-UNI-354943b6-13
0.701
BRU-THA-92256091-31
0.699
BRU-THA-92256091-30
0.699
BRU-THA-92256091-62
0.698
ALP-POS-1245c3fa-2
0.696
BRU-THA-92256091-83
0.694
BRU-THA-92256091-61
0.692
WIL-UNI-de614146-13
0.689
WIL-UNI-354943b6-6
0.688
BRU-THA-92256091-75
0.686
BRU-THA-92256091-59
0.676
BRU-THA-92256091-91
0.676
BRU-THA-92256091-65
0.670
BRU-THA-92256091-64
0.670
BRU-THA-92256091-42
0.667
BRU-THA-92256091-84
0.664
BRU-THA-92256091-60
0.664
BRU-THA-92256091-66
0.658
BRU-THA-92256091-54
0.658
BRU-THA-92256091-51
0.655
BRU-THA-92256091-55
0.652
BRU-THA-92256091-68
0.652
ALP-UNI-fe744232-1
0.651
BRU-THA-92256091-78
0.649
BRU-THA-92256091-52
0.649
BRU-THA-92256091-79
0.645
BRU-THA-92256091-67
0.643
BRU-THA-92256091-92
0.637
BRU-THA-92256091-44
0.637
BRU-THA-92256091-63
0.637
BRU-THA-92256091-76
0.629
BRU-THA-92256091-77
0.622
ALP-POS-95f71980-3
0.622
BRU-THA-92256091-88
0.619
BRU-THA-92256091-11
0.618
BRU-THA-92256091-7
0.615
ALP-POS-ced8ea4d-27
0.613
ALP-POS-305f6ec3-46
0.613
ALP-POS-305f6ec3-12
0.609
ALP-POS-305f6ec3-48
0.607
ALP-POS-02c6a514-50
0.607
BRU-THA-92256091-12
0.607
ALP-POS-305f6ec3-33
0.606
ALP-UNI-fe744232-3
0.606
ALP-POS-ced8ea4d-9
0.602
ALP-POS-95f71980-33
0.600
ALP-POS-ced8ea4d-19
0.596
ALP-UNI-fe744232-18
0.596
ALP-POS-95f71980-35
0.595
ALP-POS-ced8ea4d-28
0.594
BRU-THA-92256091-6
0.593
ALP-POS-305f6ec3-14
0.593
ALP-POS-ced8ea4d-67
0.591
WIL-UNI-de614146-7
0.589
ALP-POS-95f71980-4
0.589
ALP-POS-95f71980-10
0.586
ALP-POS-305f6ec3-50
0.586
ALP-POS-ced8ea4d-52
0.586
ALP-POS-ced8ea4d-5
0.586
ALP-POS-ced8ea4d-11
0.586
ALP-UNI-fe744232-22
0.584
ALP-UNI-fe744232-30
0.584
ALP-POS-02c6a514-22
0.583
ALP-POS-305f6ec3-27
0.583
PET-UNK-48ab5cd7-3
0.583
WIL-UNI-de614146-1
0.583
BRU-THA-92256091-2
0.582
BRU-THA-92256091-27
0.582
ALP-POS-95f71980-28
0.581