Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1cn(Cc2ccccc2)cn1 |
MW: | 523.21 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 108.8 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-35
0.792
ALP-POS-e980f4ea-35
0.783
BRU-THA-92256091-8
0.683
ALP-POS-1245c3fa-1
0.639
ALP-POS-1245c3fa-2
0.636
BRU-THA-92256091-7
0.636
BRU-THA-92256091-24
0.624
WIL-UNI-354943b6-7
0.619
BRU-THA-92256091-22
0.618
MAT-POS-f2460aef-3
0.613
BRU-THA-92256091-6
0.613
BRU-THA-92256091-85
0.609
WIL-UNI-354943b6-14
0.609
BRU-THA-92256091-11
0.607
BRU-THA-92256091-15
0.607
BRU-THA-92256091-19
0.607
BRU-THA-92256091-86
0.607
BRU-THA-92256091-32
0.602
BRU-THA-92256091-18
0.602
WIL-UNI-354943b6-2
0.602
WIL-UNI-354943b6-10
0.602
BRU-THA-92256091-62
0.598
WIL-UNI-354943b6-1
0.598
BRU-THA-92256091-23
0.596
BRU-THA-92256091-31
0.596
BRU-THA-92256091-30
0.596
WIL-UNI-354943b6-12
0.595
BRU-THA-92256091-61
0.593
BRU-THA-92256091-16
0.591
BRU-THA-92256091-17
0.591
BRU-THA-92256091-14
0.591
BRU-THA-92256091-20
0.591
WIL-UNI-354943b6-3
0.591
BRU-THA-92256091-75
0.586
BRU-THA-92256091-21
0.586
WIL-UNI-354943b6-5
0.586
BRU-THA-92256091-80
0.581
WIL-UNI-354943b6-8
0.581
BRU-THA-92256091-59
0.580
BRU-THA-92256091-79
0.580
WIL-UNI-354943b6-9
0.576
WIL-UNI-354943b6-13
0.575
BRU-THA-92256091-65
0.575
BRU-THA-92256091-64
0.575
BRU-THA-92256091-63
0.574
BRU-THA-92256091-42
0.571
BRU-THA-92256091-12
0.571
BRU-THA-92256091-60
0.570
BRU-THA-92256091-26
0.568
WIL-UNI-354943b6-6
0.566
BRU-THA-92256091-51
0.562
WIL-UNI-354943b6-4
0.562
WIL-UNI-354943b6-11
0.562
BRU-THA-92256091-55
0.561
BRU-THA-92256091-44
0.561
BRU-THA-92256091-68
0.561
BRU-THA-92256091-27
0.560
BRU-THA-92256091-2
0.560
BRU-THA-92256091-83
0.557
BRU-THA-92256091-52
0.557
BRU-THA-92256091-54
0.553
BRU-THA-92256091-67
0.553
BRU-THA-92256091-93
0.553
BRU-THA-92256091-66
0.553
BRU-THA-92256091-82
0.549
BRU-THA-92256091-81
0.549
BRU-THA-92256091-87
0.548
BRU-THA-92256091-92
0.548
BRU-THA-92256091-78
0.548
BRU-THA-92256091-13
0.547
BRU-THA-92256091-9
0.547
BRU-THA-92256091-38
0.546
BRU-THA-92256091-89
0.544
BRU-THA-92256091-91
0.544
ALP-POS-ced8ea4d-28
0.544
ALP-POS-95f71980-9
0.543
BRU-THA-92256091-39
0.542
BRU-THA-92256091-33
0.537
BRU-THA-92256091-28
0.537
BRU-THA-92256091-84
0.535
BRU-THA-92256091-1
0.533
BRU-THA-92256091-35
0.533
ALP-POS-95f71980-26
0.532
BRU-THA-92256091-4
0.532
BRU-THA-92256091-76
0.531
BRU-THA-92256091-5
0.529
BRU-THA-92256091-3
0.529
BRU-THA-92256091-10
0.529
BRU-THA-92256091-69
0.529
BRU-THA-92256091-25
0.529
BRU-THA-92256091-74
0.528
BRU-THA-92256091-29
0.528
BRU-THA-92256091-72
0.528
BRU-THA-92256091-77
0.527
ALP-POS-ced8ea4d-64
0.526
BRU-THA-92256091-34
0.525
BRU-THA-92256091-40
0.524
BRU-THA-92256091-71
0.520
BRU-THA-92256091-46
0.520
BRU-THA-92256091-53
0.520