Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)C1CC2COCC2C1 |
MW: | 477.22 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 2.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-2
0.853
BRU-THA-92256091-38
0.827
BRU-THA-92256091-1
0.772
BRU-THA-92256091-71
0.767
BRU-THA-92256091-10
0.765
BRU-THA-92256091-69
0.765
BRU-THA-92256091-72
0.743
BRU-THA-92256091-74
0.743
BRU-THA-92256091-9
0.743
BRU-THA-92256091-13
0.743
BRU-THA-92256091-47
0.741
BRU-THA-92256091-70
0.738
BRU-THA-92256091-40
0.736
BRU-THA-92256091-81
0.736
BRU-THA-92256091-82
0.736
BRU-THA-92256091-5
0.731
BRU-THA-92256091-3
0.731
BRU-THA-92256091-50
0.726
BRU-THA-92256091-29
0.726
BRU-THA-92256091-49
0.726
BRU-THA-92256091-48
0.716
BRU-THA-92256091-73
0.716
BRU-THA-92256091-25
0.714
BRU-THA-92256091-33
0.708
BRU-THA-92256091-34
0.708
BRU-THA-92256091-4
0.697
BRU-THA-92256091-56
0.696
BRU-THA-92256091-36
0.694
BRU-THA-92256091-37
0.688
BRU-THA-92256091-46
0.682
BRU-THA-92256091-58
0.681
BRU-THA-92256091-57
0.679
BRU-THA-92256091-89
0.664
ALP-POS-ced8ea4d-2
0.651
BRU-THA-92256091-90
0.647
BRU-THA-92256091-35
0.640
BRU-THA-92256091-45
0.623
BRU-THA-92256091-53
0.623
BRU-THA-92256091-80
0.622
BRU-THA-92256091-11
0.621
ALP-POS-e980f4ea-2
0.609
BRU-THA-92256091-79
0.605
BRU-THA-92256091-7
0.604
ALP-POS-ced8ea4d-14
0.602
ALP-POS-ced8ea4d-66
0.598
ALP-POS-ced8ea4d-55
0.590
BRU-THA-92256091-8
0.589
BRU-THA-92256091-27
0.586
ALP-POS-e980f4ea-14
0.584
BRU-THA-92256091-6
0.582
ALP-POS-ced8ea4d-13
0.580
ALP-POS-ced8ea4d-22
0.580
ALP-POS-e980f4ea-66
0.580
BRU-THA-92256091-91
0.580
ALP-POS-ced8ea4d-60
0.580
WIL-UNI-354943b6-12
0.579
BRU-THA-92256091-24
0.578
ALP-POS-1245c3fa-1
0.578
ALP-POS-1245c3fa-2
0.577
ALP-POS-ced8ea4d-42
0.576
BRU-THA-92256091-22
0.573
ALP-POS-ced8ea4d-43
0.573
BRU-THA-92256091-32
0.571
BRU-THA-92256091-75
0.570
ALP-POS-e980f4ea-42
0.569
ALP-POS-ced8ea4d-45
0.569
ALP-POS-e980f4ea-60
0.568
MAT-POS-f2460aef-3
0.568
ALP-POS-ced8ea4d-56
0.564
BRU-THA-92256091-15
0.562
BRU-THA-92256091-19
0.562
WIL-UNI-354943b6-3
0.561
ALP-POS-e980f4ea-43
0.560
ALP-POS-e980f4ea-13
0.559
ALP-POS-e980f4ea-22
0.559
ALP-POS-ced8ea4d-57
0.558
BRU-THA-92256091-18
0.558
WIL-UNI-354943b6-10
0.558
WIL-UNI-354943b6-2
0.558
BRU-THA-92256091-84
0.557
BRU-THA-92256091-83
0.555
BRU-THA-92256091-23
0.553
BRU-THA-92256091-30
0.553
BRU-THA-92256091-31
0.553
BRU-THA-92256091-26
0.552
WIL-UNI-354943b6-8
0.552
ALP-POS-e980f4ea-55
0.551
BRU-THA-92256091-54
0.550
BRU-THA-92256091-14
0.548
BRU-THA-92256091-16
0.548
BRU-THA-92256091-17
0.548
BRU-THA-92256091-20
0.548
ALP-POS-02c6a514-36
0.548
WIL-UNI-354943b6-7
0.548
ALP-POS-b0bc6a46-21
0.548
BRU-THA-92256091-28
0.547
ALP-POS-e980f4ea-56
0.547
WIL-UNI-354943b6-9
0.547
WIL-UNI-354943b6-4
0.546
WIL-UNI-354943b6-11
0.546