Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(C(F)F)cc1 |
MW: | 493.17 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 90.98 |
cLogP: | 4.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-24
0.833
ALP-POS-1245c3fa-1
0.833
MAT-POS-f2460aef-3
0.815
BRU-THA-92256091-8
0.811
BRU-THA-92256091-21
0.811
BRU-THA-92256091-19
0.806
BRU-THA-92256091-15
0.806
BRU-THA-92256091-17
0.800
BRU-THA-92256091-16
0.800
WIL-UNI-354943b6-2
0.798
WIL-UNI-354943b6-10
0.798
BRU-THA-92256091-18
0.798
BRU-THA-92256091-23
0.789
WIL-UNI-354943b6-3
0.781
WIL-UNI-354943b6-7
0.781
BRU-THA-92256091-14
0.781
BRU-THA-92256091-20
0.781
WIL-UNI-354943b6-5
0.773
WIL-UNI-354943b6-1
0.768
BRU-THA-92256091-85
0.765
WIL-UNI-354943b6-12
0.765
WIL-UNI-354943b6-14
0.765
BRU-THA-92256091-80
0.765
WIL-UNI-354943b6-8
0.765
WIL-UNI-354943b6-9
0.758
BRU-THA-92256091-30
0.753
WIL-UNI-354943b6-4
0.752
BRU-THA-92256091-86
0.743
BRU-THA-92256091-32
0.742
WIL-UNI-354943b6-11
0.735
WIL-UNI-354943b6-13
0.735
BRU-THA-92256091-31
0.735
BRU-THA-92256091-42
0.733
ALP-POS-1245c3fa-2
0.732
BRU-THA-92256091-83
0.728
BRU-THA-92256091-91
0.724
BRU-THA-92256091-93
0.721
WIL-UNI-354943b6-6
0.721
BRU-THA-92256091-75
0.703
BRU-THA-92256091-65
0.702
BRU-THA-92256091-62
0.699
BRU-THA-92256091-84
0.694
BRU-THA-92256091-59
0.692
BRU-THA-92256091-61
0.692
BRU-THA-92256091-51
0.686
BRU-THA-92256091-64
0.686
BRU-THA-92256091-68
0.682
BRU-THA-92256091-52
0.679
BRU-THA-92256091-60
0.679
BRU-THA-92256091-79
0.676
BRU-THA-92256091-54
0.673
BRU-THA-92256091-67
0.673
BRU-THA-92256091-66
0.673
BRU-THA-92256091-44
0.667
BRU-THA-92256091-11
0.667
BRU-THA-92256091-55
0.667
BRU-THA-92256091-63
0.667
BRU-THA-92256091-92
0.651
BRU-THA-92256091-12
0.651
WIL-UNI-de614146-7
0.650
BRU-THA-92256091-78
0.649
BRU-THA-92256091-7
0.646
BRU-THA-92256091-76
0.643
BRU-THA-92256091-77
0.635
ALP-POS-305f6ec3-33
0.635
WIL-UNI-de614146-8
0.627
ALP-POS-ced8ea4d-27
0.627
WIL-UNI-de614146-1
0.624
ALP-POS-02c6a514-50
0.621
BRU-THA-92256091-6
0.621
ALP-POS-305f6ec3-14
0.621
BRU-THA-92256091-88
0.618
ALP-POS-ced8ea4d-9
0.615
ALP-POS-305f6ec3-46
0.612
PET-UNK-48ab5cd7-3
0.612
ALF-EVA-719172df-6
0.610
ALP-UNI-fe744232-18
0.610
ALP-POS-305f6ec3-38
0.610
ALP-POS-ced8ea4d-19
0.610
ALP-POS-95f71980-17
0.608
ALP-POS-ced8ea4d-28
0.608
ALP-POS-305f6ec3-12
0.607
ALP-POS-ced8ea4d-12
0.607
ALP-POS-ced8ea4d-51
0.607
ALP-POS-305f6ec3-48
0.606
PET-UNK-48ab5cd7-1
0.606
WIL-UNI-de614146-5
0.606
WIL-UNI-de614146-11
0.606
ALP-POS-ced8ea4d-67
0.604
ALP-UNI-fe744232-3
0.604
ALP-POS-95f71980-4
0.602
LON-WEI-2e27a2e5-2
0.600
ALP-POS-95f71980-23
0.600
WIL-UNI-de614146-4
0.600
ALP-UNI-fe744232-14
0.598
ALP-POS-ced8ea4d-52
0.598
ALP-POS-305f6ec3-50
0.598
ALP-POS-ced8ea4d-5
0.598
ALP-POS-ced8ea4d-11
0.598
ALP-POS-e980f4ea-27
0.598