Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(OC(F)F)nc1 |
MW: | 510.16 |
Fraction sp3: | 0.16 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 113.1 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-31
0.851
BRU-THA-92256091-16
0.786
ALP-POS-ced8ea4d-39
0.768
BRU-THA-92256091-32
0.765
BRU-THA-92256091-42
0.755
BRU-THA-92256091-22
0.753
ALP-POS-e980f4ea-39
0.747
ALP-POS-1245c3fa-1
0.742
BRU-THA-92256091-24
0.742
BRU-THA-92256091-8
0.740
BRU-THA-92256091-19
0.737
BRU-THA-92256091-17
0.733
WIL-UNI-354943b6-2
0.730
BRU-THA-92256091-18
0.730
MAT-POS-f2460aef-3
0.727
BRU-THA-92256091-23
0.723
BRU-THA-92256091-15
0.720
WIL-UNI-354943b6-10
0.713
WIL-UNI-354943b6-9
0.712
ALP-POS-1245c3fa-2
0.703
WIL-UNI-354943b6-14
0.702
WIL-UNI-354943b6-3
0.699
WIL-UNI-354943b6-7
0.699
BRU-THA-92256091-14
0.699
BRU-THA-92256091-20
0.699
WIL-UNI-354943b6-5
0.692
BRU-THA-92256091-21
0.692
WIL-UNI-354943b6-4
0.692
WIL-UNI-354943b6-12
0.686
BRU-THA-92256091-80
0.686
BRU-THA-92256091-85
0.686
WIL-UNI-354943b6-8
0.686
BRU-THA-92256091-93
0.679
BRU-THA-92256091-75
0.676
WIL-UNI-354943b6-1
0.673
BRU-THA-92256091-62
0.673
BRU-THA-92256091-59
0.667
BRU-THA-92256091-61
0.667
BRU-THA-92256091-86
0.667
WIL-UNI-354943b6-6
0.664
WIL-UNI-354943b6-11
0.661
BRU-THA-92256091-64
0.661
BRU-THA-92256091-65
0.661
WIL-UNI-354943b6-13
0.661
BRU-THA-92256091-51
0.661
BRU-THA-92256091-44
0.658
BRU-THA-92256091-92
0.658
BRU-THA-92256091-84
0.655
BRU-THA-92256091-60
0.655
BRU-THA-92256091-83
0.655
BRU-THA-92256091-52
0.655
BRU-THA-92256091-79
0.651
ALP-POS-ced8ea4d-49
0.651
BRU-THA-92256091-67
0.649
BRU-THA-92256091-54
0.649
BRU-THA-92256091-66
0.649
BRU-THA-92256091-55
0.643
BRU-THA-92256091-63
0.643
BRU-THA-92256091-68
0.643
BRU-THA-92256091-11
0.640
BRU-THA-92256091-91
0.637
ALP-POS-e980f4ea-49
0.632
BRU-THA-92256091-12
0.627
BRU-THA-92256091-78
0.626
BRU-THA-92256091-76
0.621
BRU-THA-92256091-77
0.613
BRU-THA-92256091-7
0.606
ALP-POS-ced8ea4d-51
0.600
BRU-THA-92256091-88
0.596
BRU-THA-92256091-25
0.595
WIL-UNI-de614146-7
0.594
ALP-POS-e980f4ea-51
0.587
WIL-UNI-de614146-10
0.586
ALP-POS-ced8ea4d-44
0.584
BRU-THA-92256091-6
0.583
ALP-POS-ced8ea4d-37
0.582
ALP-POS-305f6ec3-33
0.582
BRU-THA-92256091-33
0.575
WIL-UNI-de614146-8
0.574
WIL-UNI-de614146-1
0.574
BRU-THA-92256091-2
0.573
BRU-THA-92256091-9
0.573
BRU-THA-92256091-13
0.573
BRU-THA-92256091-27
0.573
BRU-THA-92256091-1
0.571
WIL-UNI-de614146-11
0.570
ALP-POS-305f6ec3-14
0.569
ALP-POS-e980f4ea-44
0.566
BRU-THA-92256091-3
0.566
BRU-THA-92256091-5
0.566
ALP-POS-e980f4ea-37
0.564
WIL-UNI-de614146-4
0.564
BRU-THA-92256091-28
0.561
ALP-POS-ced8ea4d-27
0.560
PET-UNK-48ab5cd7-2
0.560
ALP-POS-ced8ea4d-19
0.559
BRU-THA-92256091-38
0.558
ALP-POS-ced8ea4d-12
0.558
WIL-UNI-de614146-15
0.558
ALP-POS-ced8ea4d-28
0.556