Molecular Properties | |
SMILES: | COC1CC2(C1)CC(N(C(=O)c1c[nH]cn1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1)C2 |
MW: | 491.23 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 100.21 |
cLogP: | 3.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-6
0.783
BRU-THA-92256091-3
0.769
BRU-THA-92256091-5
0.769
ALP-POS-e980f4ea-6
0.762
BRU-THA-92256091-34
0.745
BRU-THA-92256091-36
0.731
BRU-THA-92256091-25
0.720
BRU-THA-92256091-46
0.718
BRU-THA-92256091-2
0.714
BRU-THA-92256091-13
0.714
BRU-THA-92256091-9
0.714
BRU-THA-92256091-1
0.710
BRU-THA-92256091-40
0.709
BRU-THA-92256091-10
0.704
BRU-THA-92256091-56
0.702
BRU-THA-92256091-49
0.700
BRU-THA-92256091-50
0.700
BRU-THA-92256091-38
0.694
BRU-THA-92256091-82
0.694
BRU-THA-92256091-81
0.694
BRU-THA-92256091-48
0.690
BRU-THA-92256091-39
0.688
BRU-THA-92256091-69
0.688
BRU-THA-92256091-4
0.688
BRU-THA-92256091-72
0.685
BRU-THA-92256091-29
0.685
BRU-THA-92256091-74
0.685
BRU-THA-92256091-33
0.682
BRU-THA-92256091-71
0.676
BRU-THA-92256091-73
0.661
BRU-THA-92256091-47
0.655
BRU-THA-92256091-70
0.652
BRU-THA-92256091-89
0.641
BRU-THA-92256091-58
0.630
BRU-THA-92256091-57
0.626
BRU-THA-92256091-90
0.625
BRU-THA-92256091-35
0.617
BRU-THA-92256091-45
0.602
BRU-THA-92256091-53
0.602
BRU-THA-92256091-11
0.583
BRU-THA-92256091-8
0.582
BRU-THA-92256091-6
0.575
ALP-POS-1245c3fa-2
0.570
BRU-THA-92256091-19
0.570
BRU-THA-92256091-7
0.568
BRU-THA-92256091-18
0.565
BRU-THA-92256091-75
0.564
BRU-THA-92256091-23
0.560
BRU-THA-92256091-24
0.558
ALP-POS-1245c3fa-1
0.558
ALP-POS-ced8ea4d-61
0.557
BRU-THA-92256091-15
0.557
ALP-POS-ced8ea4d-14
0.555
BRU-THA-92256091-22
0.553
BRU-THA-92256091-32
0.552
BRU-THA-92256091-27
0.552
ALP-POS-ced8ea4d-66
0.551
ALP-POS-e980f4ea-61
0.550
MAT-POS-f2460aef-3
0.548
ALP-POS-ced8ea4d-13
0.547
ALP-POS-ced8ea4d-22
0.547
BRU-THA-92256091-30
0.547
BRU-THA-92256091-31
0.547
BRU-THA-92256091-26
0.546
WIL-UNI-354943b6-12
0.546
WIL-UNI-354943b6-14
0.546
BRU-THA-92256091-80
0.546
ALP-POS-ced8ea4d-56
0.545
BRU-THA-92256091-79
0.545
ALP-POS-ced8ea4d-55
0.545
WIL-UNI-354943b6-7
0.542
WIL-UNI-354943b6-3
0.542
BRU-THA-92256091-16
0.542
BRU-THA-92256091-17
0.542
BRU-THA-92256091-28
0.542
ALP-POS-ced8ea4d-43
0.541
WIL-UNI-354943b6-4
0.541
ALP-POS-ced8ea4d-57
0.540
BRU-THA-92256091-63
0.540
BRU-THA-92256091-92
0.540
BRU-THA-92256091-84
0.540
ALP-POS-e980f4ea-13
0.539
ALP-POS-e980f4ea-22
0.539
WIL-UNI-354943b6-2
0.538
WIL-UNI-354943b6-10
0.538
ALP-POS-e980f4ea-14
0.538
ALP-POS-ced8ea4d-45
0.537
BRU-THA-92256091-12
0.537
ALP-POS-e980f4ea-66
0.534
ALP-POS-ced8ea4d-2
0.533
WIL-UNI-354943b6-8
0.533
BRU-THA-92256091-85
0.533
BRU-THA-92256091-41
0.533
ALP-POS-e980f4ea-55
0.533
BRU-THA-92256091-14
0.529
BRU-THA-92256091-20
0.529
WIL-UNI-354943b6-9
0.529
ALP-POS-e980f4ea-56
0.529
ALP-POS-e980f4ea-43
0.529
BRU-THA-92256091-64
0.528