Molecular Properties | |
SMILES: | COc1c(C)cccc1CN(C(=O)c1c[nH]cn1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 501.22 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 100.21 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALP-POS-ced8ea4d-46
0.781
BRU-THA-92256091-27
0.772
ALP-POS-e980f4ea-46
0.752
BRU-THA-92256091-28
0.736
BRU-THA-92256091-11
0.735
BRU-THA-92256091-43
0.725
BRU-THA-92256091-7
0.713
BRU-THA-92256091-87
0.667
ALP-POS-ced8ea4d-41
0.593
BRU-THA-92256091-19
0.589
BRU-THA-92256091-23
0.579
BRU-THA-92256091-26
0.578
BRU-THA-92256091-24
0.577
BRU-THA-92256091-8
0.573
ALP-POS-ced8ea4d-40
0.568
BRU-THA-92256091-6
0.566
ALP-POS-e980f4ea-41
0.566
ALP-POS-ced8ea4d-7
0.564
ALP-POS-1245c3fa-1
0.562
ALP-POS-ced8ea4d-48
0.562
BRU-THA-92256091-15
0.561
BRU-THA-92256091-22
0.558
BRU-THA-92256091-18
0.557
BRU-THA-92256091-42
0.555
MAT-POS-f2460aef-3
0.553
BRU-THA-92256091-30
0.552
BRU-THA-92256091-31
0.552
BRU-THA-92256091-3
0.551
BRU-THA-92256091-5
0.551
WIL-UNI-354943b6-12
0.551
WIL-UNI-354943b6-14
0.551
ALP-POS-ced8ea4d-64
0.549
ALP-POS-1245c3fa-2
0.548
BRU-THA-92256091-16
0.547
BRU-THA-92256091-17
0.547
WIL-UNI-354943b6-3
0.547
BRU-THA-92256091-2
0.543
BRU-THA-92256091-13
0.543
BRU-THA-92256091-32
0.543
WIL-UNI-354943b6-2
0.543
BRU-THA-92256091-9
0.543
WIL-UNI-354943b6-10
0.543
ALP-POS-e980f4ea-40
0.542
BRU-THA-92256091-12
0.542
BRU-THA-92256091-45
0.541
BRU-THA-92256091-25
0.538
BRU-THA-92256091-39
0.538
BRU-THA-92256091-80
0.538
WIL-UNI-354943b6-8
0.538
BRU-THA-92256091-74
0.537
BRU-THA-92256091-72
0.537
ALP-POS-e980f4ea-48
0.537
ALP-POS-e980f4ea-7
0.536
BRU-THA-92256091-14
0.534
BRU-THA-92256091-20
0.534
WIL-UNI-354943b6-7
0.534
WIL-UNI-354943b6-9
0.533
BRU-THA-92256091-37
0.533
WIL-UNI-354943b6-11
0.533
BRU-THA-92256091-68
0.532
BRU-THA-92256091-44
0.532
BRU-THA-92256091-1
0.529
BRU-THA-92256091-21
0.529
BRU-THA-92256091-75
0.529
BRU-THA-92256091-38
0.529
WIL-UNI-354943b6-5
0.529
BRU-THA-92256091-35
0.529
BRU-THA-92256091-53
0.528
BRU-THA-92256091-4
0.528
BRU-THA-92256091-10
0.525
BRU-THA-92256091-85
0.525
BRU-THA-92256091-69
0.525
BRU-THA-92256091-49
0.525
BRU-THA-92256091-61
0.525
BRU-THA-92256091-79
0.525
BRU-THA-92256091-54
0.524
BRU-THA-92256091-67
0.524
BRU-THA-92256091-93
0.524
BRU-THA-92256091-66
0.524
ALP-POS-e980f4ea-64
0.522
BRU-THA-92256091-33
0.521
BRU-THA-92256091-34
0.521
BRU-THA-92256091-40
0.520
BRU-THA-92256091-81
0.520
BRU-THA-92256091-82
0.520
BRU-THA-92256091-64
0.520
BRU-THA-92256091-51
0.520
BRU-THA-92256091-65
0.520
BRU-THA-92256091-92
0.520
BRU-THA-92256091-62
0.516
BRU-THA-92256091-71
0.516
WIL-UNI-354943b6-1
0.516
BRU-THA-92256091-52
0.516
BRU-THA-92256091-60
0.516
BRU-THA-92256091-88
0.516
BRU-THA-92256091-36
0.512
BRU-THA-92256091-50
0.512
BRU-THA-92256091-57
0.512
BRU-THA-92256091-59
0.512
BRU-THA-92256091-29
0.512