Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1COC(C2CC2)C1 |
MW: | 478.2 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 97.56 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
BRU-THA-92256091-70
0.794
ALP-POS-e980f4ea-42
0.741
ALP-POS-ced8ea4d-2
0.738
ALP-POS-ced8ea4d-60
0.732
ALP-POS-ced8ea4d-66
0.729
ALP-POS-ced8ea4d-13
0.726
ALP-POS-ced8ea4d-22
0.726
ALP-POS-ced8ea4d-14
0.716
ALP-POS-ced8ea4d-43
0.712
ALP-POS-ced8ea4d-56
0.703
ALP-POS-ced8ea4d-45
0.694
ALP-POS-ced8ea4d-61
0.684
ALP-POS-ced8ea4d-57
0.678
ALP-POS-ced8ea4d-4
0.675
ALP-POS-ced8ea4d-55
0.670
ALP-POS-ced8ea4d-6
0.661
ALP-POS-ced8ea4d-31
0.658
ALP-POS-ced8ea4d-33
0.638
ALP-POS-ced8ea4d-26
0.636
ALP-POS-ced8ea4d-29
0.615
ALP-POS-ced8ea4d-23
0.608
ALP-POS-ced8ea4d-3
0.608
ALP-POS-ced8ea4d-7
0.591
BRU-THA-92256091-2
0.583
ALP-POS-ced8ea4d-41
0.578
BRU-THA-92256091-47
0.577
BRU-THA-92256091-69
0.576
BRU-THA-92256091-39
0.576
ALP-POS-ced8ea4d-64
0.575
ALP-POS-ced8ea4d-54
0.574
ALP-POS-95f71980-14
0.569
ALP-POS-ced8ea4d-63
0.568
BRU-THA-92256091-1
0.568
BRU-THA-92256091-38
0.568
BRU-THA-92256091-71
0.567
ALP-POS-ced8ea4d-28
0.566
BRU-THA-92256091-10
0.563
ALP-POS-ced8ea4d-62
0.563
BRU-THA-92256091-29
0.562
ALP-POS-ced8ea4d-59
0.562
ALP-POS-ced8ea4d-58
0.558
ALP-POS-ced8ea4d-27
0.557
BRU-THA-92256091-9
0.556
BRU-THA-92256091-13
0.556
ALP-POS-ced8ea4d-40
0.554
ALP-POS-e980f4ea-60
0.553
ALP-POS-02c6a514-50
0.552
ALP-POS-95f71980-9
0.552
ALP-POS-ced8ea4d-37
0.551
ALP-POS-95f71980-39
0.550
BRU-THA-92256091-5
0.550
BRU-THA-92256091-3
0.550
BRU-THA-92256091-49
0.549
ALP-POS-ced8ea4d-9
0.547
ALP-POS-95f71980-16
0.546
BRU-THA-92256091-33
0.545
BRU-THA-92256091-40
0.545
ALP-POS-ced8ea4d-46
0.545
ALP-UNI-fe744232-13
0.544
BRU-THA-92256091-73
0.544
ALP-POS-ced8ea4d-19
0.542
ALP-UNI-fe744232-18
0.542
ALP-POS-95f71980-1
0.542
ALP-POS-95f71980-3
0.541
ALP-POS-ced8ea4d-17
0.540
ALP-UNI-fe744232-3
0.538
ALP-POS-e980f4ea-2
0.538
ALP-POS-ced8ea4d-67
0.538
ALP-POS-e980f4ea-66
0.538
ALP-POS-95f71980-31
0.537
BRU-THA-92256091-25
0.537
BRU-THA-92256091-50
0.537
BRU-THA-92256091-74
0.537
ALP-POS-95f71980-40
0.537
BRU-THA-92256091-72
0.537
ALP-POS-95f71980-13
0.533
ALP-UNI-fe744232-14
0.533
ALP-POS-ced8ea4d-49
0.533
ALP-POS-ced8ea4d-52
0.533
ALP-POS-ced8ea4d-5
0.533
ALP-POS-ced8ea4d-11
0.533
ALP-POS-ced8ea4d-39
0.533
ALP-UNI-fe744232-22
0.533
BRU-THA-92256091-34
0.533
ALP-POS-e980f4ea-43
0.533
BRU-THA-92256091-48
0.532
ALP-POS-95f71980-34
0.532
BRU-THA-92256091-58
0.531
ALP-POS-ced8ea4d-32
0.531
ALP-POS-e980f4ea-13
0.530
ALP-POS-e980f4ea-22
0.530
ALP-UNI-fe744232-9
0.529
ALP-POS-e980f4ea-14
0.529
ALP-POS-95f71980-20
0.529
ALP-POS-ced8ea4d-51
0.529
ALP-POS-95f71980-36
0.529
ALP-POS-ced8ea4d-12
0.529
BRU-THA-92256091-4
0.528
BRU-THA-92256091-46
0.528
ALP-UNI-fe744232-12
0.525