Molecular Properties | |
SMILES: | CC(C)Oc1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2cn[nH]c2)c2cccnc2)cc1 |
MW: | 473.22 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 128.89 |
cLogP: | 3.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
WIL-UNI-de614146-7
0.824
WIL-UNI-de614146-8
0.815
WIL-UNI-de614146-4
0.798
WIL-UNI-de614146-6
0.773
BRU-THA-92256091-17
0.773
ALP-UNI-fe744232-7
0.771
WIL-UNI-de614146-15
0.765
WIL-UNI-de614146-10
0.765
WIL-UNI-de614146-3
0.758
WIL-UNI-de614146-2
0.753
WIL-UNI-de614146-13
0.750
WIL-UNI-de614146-14
0.750
WIL-UNI-de614146-11
0.743
WIL-UNI-de614146-12
0.742
WIL-UNI-de614146-16
0.735
WIL-UNI-de614146-1
0.728
WIL-UNI-de614146-9
0.727
BRU-THA-92256091-16
0.670
BRU-THA-92256091-19
0.641
BRU-THA-92256091-18
0.635
ALP-UNI-fe744232-10
0.621
ALP-UNI-fe744232-16
0.615
WIL-UNI-354943b6-14
0.611
BRU-THA-92256091-22
0.606
ALP-UNI-fe744232-6
0.604
ALP-UNI-fe744232-8
0.598
BRU-THA-92256091-24
0.596
ALP-POS-1245c3fa-1
0.596
ALP-POS-ced8ea4d-12
0.587
MAT-POS-f2460aef-3
0.585
BRU-THA-92256091-23
0.583
ALP-UNI-fe744232-21
0.582
ALP-UNI-fe744232-28
0.582
BRU-THA-92256091-15
0.579
ALP-UNI-fe744232-5
0.579
BRU-THA-92256091-93
0.579
BRU-THA-92256091-14
0.578
BRU-THA-92256091-20
0.578
BRU-THA-92256091-8
0.577
ALP-UNI-fe744232-26
0.577
WIL-UNI-354943b6-10
0.574
ALP-UNI-fe744232-27
0.574
WIL-UNI-354943b6-2
0.574
BRU-THA-92256091-21
0.573
ALP-UNI-fe744232-24
0.570
ALP-UNI-fe744232-4
0.569
ALP-UNI-fe744232-29
0.569
BRU-THA-92256091-80
0.568
WIL-UNI-354943b6-12
0.568
ALP-UNI-fe744232-23
0.566
ALP-UNI-fe744232-2
0.565
WIL-UNI-354943b6-3
0.564
WIL-UNI-354943b6-7
0.564
ALP-POS-e980f4ea-12
0.560
BRU-THA-92256091-84
0.559
WIL-UNI-354943b6-5
0.559
WIL-UNI-354943b6-1
0.558
ALP-UNI-fe744232-20
0.555
BRU-THA-92256091-30
0.555
WIL-UNI-354943b6-8
0.554
BRU-THA-92256091-85
0.554
BRU-THA-92256091-86
0.553
WIL-UNI-354943b6-9
0.549
WIL-UNI-354943b6-11
0.548
BRU-THA-92256091-42
0.544
BRU-THA-92256091-31
0.541
WIL-UNI-354943b6-4
0.534
WIL-UNI-354943b6-13
0.534
BRU-THA-92256091-32
0.532
BRU-THA-92256091-83
0.530
BRU-THA-92256091-59
0.526
WIL-UNI-354943b6-6
0.525
ALP-POS-1245c3fa-2
0.523
BRU-THA-92256091-65
0.521
BRU-THA-92256091-62
0.517
BRU-THA-92256091-60
0.517
BRU-THA-92256091-91
0.517
BRU-THA-92256091-61
0.513
BRU-THA-92256091-64
0.508
ALP-POS-ced8ea4d-51
0.504
BRU-THA-92256091-75
0.504
BRU-THA-92256091-54
0.500
BRU-THA-92256091-66
0.500
BRU-THA-92256091-44
0.496
BRU-THA-92256091-55
0.496
BRU-THA-92256091-92
0.496
BRU-THA-92256091-51
0.496
BRU-THA-92256091-52
0.492
BRU-THA-92256091-67
0.488
BRU-THA-92256091-79
0.487
BRU-THA-92256091-78
0.484
BRU-THA-92256091-63
0.484
BRU-THA-92256091-68
0.484
ALP-POS-ced8ea4d-19
0.478
ALP-POS-e980f4ea-51
0.478
ALP-POS-ced8ea4d-67
0.474
BRU-THA-40a53a3c-1
0.473
ALP-POS-42f3de95-2
0.469
BRU-THA-92256091-76
0.468
BRU-THA-92256091-12
0.467