Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1ccccc1-n1cccn1)C(=O)c1c[nH]cn1 |
MW: | 523.21 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 108.8 |
cLogP: | 3.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-27
0.743
BRU-THA-92256091-11
0.706
BRU-THA-92256091-7
0.702
BRU-THA-92256091-28
0.694
BRU-THA-92256091-41
0.667
BRU-THA-92256091-43
0.641
ALP-POS-ced8ea4d-41
0.614
BRU-THA-92256091-85
0.598
ALP-POS-ced8ea4d-7
0.586
ALP-POS-ced8ea4d-64
0.584
ALP-POS-ced8ea4d-40
0.575
BRU-THA-92256091-6
0.574
BRU-THA-92256091-72
0.570
BRU-THA-92256091-74
0.570
BRU-THA-92256091-8
0.566
BRU-THA-92256091-15
0.556
ALP-POS-ced8ea4d-46
0.553
BRU-THA-92256091-88
0.548
ALP-POS-e980f4ea-41
0.547
BRU-THA-92256091-39
0.545
BRU-THA-92256091-10
0.545
BRU-THA-92256091-26
0.545
BRU-THA-92256091-86
0.545
BRU-THA-92256091-24
0.543
ALP-POS-1245c3fa-1
0.543
BRU-THA-92256091-19
0.542
BRU-THA-92256091-73
0.540
BRU-THA-92256091-22
0.538
BRU-THA-92256091-2
0.538
BRU-THA-92256091-9
0.538
BRU-THA-92256091-13
0.538
BRU-THA-92256091-18
0.538
BRU-THA-92256091-1
0.537
BRU-THA-92256091-90
0.535
MAT-POS-f2460aef-3
0.534
WIL-UNI-354943b6-12
0.533
BRU-THA-92256091-80
0.533
BRU-THA-92256091-49
0.532
ALP-POS-ced8ea4d-48
0.532
ALP-POS-1245c3fa-2
0.529
WIL-UNI-354943b6-7
0.529
BRU-THA-92256091-33
0.528
BRU-THA-92256091-40
0.528
WIL-UNI-354943b6-2
0.525
WIL-UNI-354943b6-10
0.525
BRU-THA-92256091-32
0.525
BRU-THA-92256091-38
0.525
BRU-THA-92256091-35
0.524
WIL-UNI-354943b6-1
0.524
BRU-THA-92256091-4
0.524
BRU-THA-92256091-30
0.521
BRU-THA-92256091-23
0.521
BRU-THA-92256091-31
0.521
BRU-THA-92256091-3
0.520
BRU-THA-92256091-25
0.520
BRU-THA-92256091-5
0.520
BRU-THA-92256091-69
0.520
BRU-THA-92256091-29
0.520
BRU-THA-92256091-50
0.520
BRU-THA-92256091-59
0.520
BRU-THA-92256091-61
0.520
BRU-THA-92256091-79
0.520
BRU-THA-92256091-70
0.520
ALP-POS-e980f4ea-7
0.518
ALP-POS-e980f4ea-64
0.517
WIL-UNI-354943b6-3
0.516
BRU-THA-92256091-14
0.516
BRU-THA-92256091-16
0.516
BRU-THA-92256091-17
0.516
BRU-THA-92256091-20
0.516
BRU-THA-92256091-34
0.516
BRU-THA-92256091-64
0.516
BRU-THA-92256091-37
0.516
BRU-THA-92256091-65
0.516
BRU-THA-92256091-81
0.516
BRU-THA-92256091-82
0.516
BRU-THA-92256091-48
0.516
ALP-POS-b0bc6a46-2
0.513
ALP-POS-02c6a514-2
0.513
WIL-UNI-354943b6-5
0.512
ALP-POS-e980f4ea-40
0.512
BRU-THA-92256091-21
0.512
BRU-THA-92256091-75
0.512
BRU-THA-92256091-62
0.512
BRU-THA-92256091-71
0.512
BRU-THA-92256091-46
0.512
BRU-THA-92256091-60
0.512
BRU-THA-92256091-45
0.512
BRU-THA-92256091-47
0.512
BRU-THA-92256091-89
0.512
BRU-THA-92256091-91
0.512
WIL-UNI-354943b6-8
0.508
WIL-UNI-354943b6-14
0.508
BRU-THA-92256091-57
0.508
BRU-THA-92256091-36
0.508
BRU-THA-92256091-66
0.508
BRU-THA-92256091-67
0.508
WIL-UNI-354943b6-9
0.504
ALP-POS-b0bc6a46-10
0.504
ALP-POS-02c6a514-16
0.504