Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)C1CCC2(CC1)COC2 |
MW: | 491.23 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 3.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-49
0.806
BRU-THA-92256091-34
0.786
BRU-THA-92256091-13
0.772
BRU-THA-92256091-9
0.772
BRU-THA-92256091-36
0.771
BRU-THA-92256091-56
0.755
BRU-THA-92256091-1
0.750
BRU-THA-92256091-10
0.743
BRU-THA-92256091-25
0.743
BRU-THA-92256091-39
0.726
BRU-THA-92256091-46
0.725
BRU-THA-92256091-2
0.721
BRU-THA-92256091-38
0.717
BRU-THA-92256091-40
0.716
BRU-THA-92256091-3
0.710
BRU-THA-92256091-5
0.710
BRU-THA-92256091-69
0.710
BRU-THA-92256091-29
0.706
BRU-THA-92256091-33
0.704
BRU-THA-92256091-37
0.700
BRU-THA-92256091-71
0.697
BRU-THA-92256091-48
0.696
BRU-THA-92256091-70
0.688
BRU-THA-92256091-4
0.679
BRU-THA-92256091-72
0.676
BRU-THA-92256091-74
0.676
BRU-THA-92256091-47
0.675
BRU-THA-92256091-81
0.670
BRU-THA-92256091-82
0.670
BRU-THA-92256091-58
0.664
BRU-THA-92256091-89
0.661
BRU-THA-92256091-73
0.652
BRU-THA-92256091-90
0.644
BRU-THA-92256091-57
0.632
ALP-POS-ced8ea4d-56
0.632
BRU-THA-92256091-35
0.623
BRU-THA-92256091-45
0.621
BRU-THA-92256091-53
0.621
ALP-POS-ced8ea4d-13
0.607
ALP-POS-ced8ea4d-22
0.607
WIL-UNI-354943b6-12
0.605
ALP-POS-e980f4ea-56
0.600
BRU-THA-92256091-80
0.591
BRU-THA-92256091-79
0.590
BRU-THA-92256091-11
0.589
BRU-THA-92256091-8
0.587
ALP-POS-ced8ea4d-14
0.586
ALP-POS-ced8ea4d-66
0.583
BRU-THA-92256091-75
0.583
BRU-THA-92256091-24
0.577
ALP-POS-1245c3fa-1
0.577
ALP-POS-1245c3fa-2
0.575
ALP-POS-ced8ea4d-61
0.575
BRU-THA-92256091-54
0.575
BRU-THA-92256091-7
0.573
BRU-THA-92256091-22
0.571
ALP-POS-e980f4ea-13
0.571
ALP-POS-e980f4ea-22
0.571
BRU-THA-92256091-55
0.570
BRU-THA-92256091-32
0.570
BRU-THA-92256091-84
0.569
ALP-POS-e980f4ea-14
0.569
ALP-POS-ced8ea4d-45
0.568
MAT-POS-f2460aef-3
0.566
BRU-THA-92256091-6
0.566
ALP-POS-e980f4ea-66
0.565
ALP-POS-ced8ea4d-2
0.564
BRU-THA-92256091-15
0.561
BRU-THA-92256091-19
0.561
BRU-THA-92256091-16
0.560
WIL-UNI-354943b6-3
0.560
BRU-THA-92256091-17
0.560
ALP-POS-ced8ea4d-43
0.558
WIL-UNI-354943b6-4
0.558
WIL-UNI-354943b6-2
0.557
BRU-THA-92256091-27
0.557
BRU-THA-92256091-18
0.557
WIL-UNI-354943b6-10
0.557
BRU-THA-92256091-21
0.556
ALP-POS-e980f4ea-61
0.555
BRU-THA-92256091-83
0.554
ALP-POS-ced8ea4d-6
0.554
BRU-THA-92256091-91
0.553
BRU-THA-92256091-30
0.552
BRU-THA-92256091-31
0.552
BRU-THA-92256091-23
0.552
WIL-UNI-354943b6-8
0.551
BRU-THA-92256091-85
0.551
WIL-UNI-354943b6-6
0.549
WIL-UNI-354943b6-7
0.547
BRU-THA-92256091-14
0.547
BRU-THA-92256091-20
0.547
ALP-POS-e980f4ea-43
0.546
WIL-UNI-354943b6-9
0.546
WIL-UNI-354943b6-13
0.545
WIL-UNI-354943b6-11
0.545
ALP-POS-ced8ea4d-57
0.545
BRU-THA-92256091-63
0.545
WIL-UNI-354943b6-5
0.542
ALP-POS-e980f4ea-2
0.538