Molecular Properties | |
SMILES: | CC(C)Oc1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2ccc(-n3cnnc3)cc2)c2cccnc2)cc1 |
MW: | 550.24 |
Fraction sp3: | 0.2 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 11 |
TPSA: | 130.92 |
cLogP: | 3.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
WIL-UNI-de614146-4
0.796
WIL-UNI-de614146-8
0.794
ALP-UNI-fe744232-26
0.784
WIL-UNI-de614146-7
0.765
WIL-UNI-de614146-15
0.765
WIL-UNI-de614146-5
0.750
WIL-UNI-de614146-10
0.731
WIL-UNI-de614146-6
0.721
BRU-THA-92256091-17
0.721
WIL-UNI-de614146-16
0.718
WIL-UNI-de614146-3
0.706
WIL-UNI-de614146-14
0.699
WIL-UNI-de614146-1
0.697
WIL-UNI-de614146-11
0.694
WIL-UNI-de614146-12
0.692
WIL-UNI-354943b6-7
0.689
WIL-UNI-de614146-2
0.686
WIL-UNI-de614146-9
0.679
BRU-THA-92256091-16
0.627
ALP-UNI-fe744232-6
0.624
ALP-UNI-fe744232-16
0.620
ALP-UNI-fe744232-28
0.602
BRU-THA-92256091-19
0.600
ALP-UNI-fe744232-10
0.596
BRU-THA-92256091-18
0.595
ALP-UNI-fe744232-7
0.595
WIL-UNI-354943b6-1
0.591
WIL-UNI-354943b6-14
0.588
ALP-UNI-fe744232-8
0.575
ALP-UNI-fe744232-29
0.575
ALP-UNI-fe744232-21
0.574
BRU-THA-92256091-93
0.571
BRU-THA-92256091-22
0.568
ALP-POS-ced8ea4d-12
0.565
BRU-THA-92256091-23
0.561
BRU-THA-92256091-85
0.560
ALP-POS-1245c3fa-1
0.559
BRU-THA-92256091-24
0.559
ALP-UNI-fe744232-2
0.558
ALP-UNI-fe744232-5
0.558
WIL-UNI-354943b6-2
0.553
ALP-UNI-fe744232-27
0.553
ALP-UNI-fe744232-24
0.549
MAT-POS-f2460aef-3
0.549
ALP-UNI-fe744232-23
0.546
BRU-THA-92256091-15
0.544
BRU-THA-92256091-14
0.543
BRU-THA-92256091-20
0.543
BRU-THA-92256091-8
0.541
ALP-POS-e980f4ea-12
0.539
WIL-UNI-354943b6-10
0.539
BRU-THA-92256091-21
0.538
BRU-THA-92256091-30
0.534
ALP-UNI-fe744232-4
0.534
ALP-UNI-fe744232-20
0.534
BRU-THA-92256091-80
0.534
BRU-THA-92256091-86
0.533
WIL-UNI-354943b6-3
0.530
ALP-UNI-fe744232-14
0.530
BRU-THA-92256091-84
0.528
WIL-UNI-354943b6-5
0.525
BRU-THA-92256091-31
0.521
WIL-UNI-354943b6-8
0.521
WIL-UNI-354943b6-12
0.521
WIL-UNI-354943b6-9
0.517
WIL-UNI-354943b6-11
0.516
BRU-THA-92256091-32
0.513
BRU-THA-92256091-42
0.512
WIL-UNI-354943b6-6
0.508
WIL-UNI-354943b6-4
0.504
WIL-UNI-354943b6-13
0.504
BRU-THA-92256091-62
0.500
BRU-THA-92256091-83
0.500
BRU-THA-92256091-61
0.496
BRU-THA-92256091-92
0.492
BRU-THA-92256091-65
0.492
ALP-POS-1245c3fa-2
0.492
BRU-THA-92256091-91
0.488
BRU-THA-92256091-75
0.488
ALP-POS-ced8ea4d-51
0.488
BRU-THA-92256091-66
0.484
BRU-THA-92256091-59
0.484
BRU-THA-92256091-64
0.480
BRU-THA-92256091-60
0.476
BRU-THA-92256091-54
0.472
BRU-THA-92256091-67
0.472
BRU-THA-92256091-78
0.469
BRU-THA-92256091-63
0.469
BRU-THA-92256091-55
0.469
BRU-THA-92256091-44
0.469
BRU-THA-92256091-68
0.469
BRU-THA-92256091-51
0.468
ALP-POS-42f3de95-2
0.466
BRU-THA-92256091-52
0.465
ALP-POS-e980f4ea-51
0.463
ALP-POS-ced8ea4d-19
0.463
BRU-THA-92256091-79
0.460
ALP-POS-ced8ea4d-67
0.459
ALP-UNI-fe744232-30
0.456
BRU-THA-92256091-76
0.455