Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(-n2cccn2)cc1 |
MW: | 509.2 |
Fraction sp3: | 0.11 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 108.8 |
cLogP: | 3.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
WIL-UNI-354943b6-1
0.802
WIL-UNI-354943b6-7
0.798
ALP-POS-1245c3fa-1
0.773
BRU-THA-92256091-24
0.773
BRU-THA-92256091-19
0.768
BRU-THA-92256091-22
0.765
WIL-UNI-354943b6-2
0.760
BRU-THA-92256091-86
0.760
MAT-POS-f2460aef-3
0.758
BRU-THA-92256091-8
0.753
BRU-THA-92256091-15
0.750
BRU-THA-92256091-18
0.743
WIL-UNI-354943b6-10
0.743
BRU-THA-92256091-21
0.738
BRU-THA-92256091-23
0.735
WIL-UNI-354943b6-12
0.731
BRU-THA-92256091-14
0.728
BRU-THA-92256091-20
0.728
WIL-UNI-354943b6-3
0.728
BRU-THA-92256091-16
0.728
BRU-THA-92256091-17
0.728
WIL-UNI-354943b6-5
0.721
BRU-THA-92256091-80
0.714
WIL-UNI-354943b6-8
0.714
WIL-UNI-354943b6-14
0.714
WIL-UNI-354943b6-9
0.708
BRU-THA-92256091-32
0.692
WIL-UNI-354943b6-11
0.688
WIL-UNI-354943b6-4
0.688
WIL-UNI-354943b6-13
0.688
BRU-THA-92256091-30
0.686
BRU-THA-92256091-31
0.686
ALP-POS-1245c3fa-2
0.683
BRU-THA-92256091-83
0.682
BRU-THA-92256091-61
0.679
BRU-THA-92256091-59
0.679
WIL-UNI-354943b6-6
0.676
BRU-THA-92256091-93
0.676
BRU-THA-92256091-75
0.673
BRU-THA-92256091-64
0.673
BRU-THA-92256091-65
0.673
BRU-THA-92256091-62
0.670
BRU-THA-92256091-60
0.667
BRU-THA-92256091-91
0.664
BRU-THA-92256091-42
0.655
BRU-THA-92256091-84
0.652
BRU-THA-92256091-79
0.649
BRU-THA-92256091-54
0.646
BRU-THA-92256091-51
0.643
BRU-THA-92256091-55
0.640
BRU-THA-92256091-78
0.638
BRU-THA-92256091-52
0.637
BRU-THA-92256091-66
0.632
BRU-THA-92256091-67
0.632
BRU-THA-92256091-68
0.626
BRU-THA-92256091-44
0.626
BRU-THA-92256091-63
0.626
BRU-THA-92256091-92
0.626
ALP-UNI-fe744232-1
0.625
BRU-THA-92256091-76
0.619
ALP-UNI-fe744232-14
0.618
BRU-THA-92256091-77
0.612
BRU-THA-92256091-88
0.609
BRU-THA-92256091-11
0.606
BRU-THA-92256091-7
0.604
ALP-POS-ced8ea4d-27
0.602
ALP-POS-305f6ec3-46
0.602
ALP-POS-ced8ea4d-19
0.600
BRU-THA-92256091-87
0.598
ALP-POS-95f71980-35
0.598
BRU-THA-92256091-12
0.596
ALP-POS-ced8ea4d-16
0.596
ALP-POS-95f71980-3
0.596
ALP-POS-305f6ec3-14
0.596
ALP-POS-02c6a514-50
0.596
ALP-POS-305f6ec3-48
0.596
ALP-POS-305f6ec3-33
0.595
ALP-UNI-fe744232-3
0.595
ALP-POS-ced8ea4d-9
0.591
ALP-UNI-fe744232-22
0.588
ALP-UNI-fe744232-18
0.586
BRU-THA-92256091-73
0.585
ALP-POS-305f6ec3-12
0.584
ALP-POS-ced8ea4d-28
0.583
ALP-POS-95f71980-17
0.583
BRU-THA-92256091-6
0.582
ALP-POS-ced8ea4d-67
0.580
WIL-UNI-de614146-7
0.578
BRU-THA-92256091-72
0.578
BRU-THA-92256091-74
0.578
ALP-POS-95f71980-10
0.576
ALP-POS-95f71980-33
0.576
ALP-POS-305f6ec3-50
0.575
ALP-POS-ced8ea4d-52
0.575
ALP-POS-ced8ea4d-5
0.575
ALP-POS-ced8ea4d-11
0.575
PET-UNK-48ab5cd7-3
0.573
WIL-UNI-de614146-1
0.573
BRU-THA-92256091-27
0.571
ALP-POS-95f71980-28
0.571