Molecular Properties | |
SMILES: | CC(C)Oc1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2ccccn2)c2cccnc2)cc1 |
MW: | 484.22 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 113.1 |
cLogP: | 3.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
WIL-UNI-de614146-14
0.815
WIL-UNI-de614146-12
0.787
WIL-UNI-de614146-8
0.785
WIL-UNI-de614146-7
0.774
ALP-UNI-fe744232-5
0.768
WIL-UNI-de614146-5
0.758
WIL-UNI-de614146-4
0.750
WIL-UNI-de614146-6
0.745
WIL-UNI-de614146-2
0.742
WIL-UNI-de614146-16
0.742
WIL-UNI-de614146-9
0.735
BRU-THA-92256091-17
0.727
WIL-UNI-de614146-10
0.720
WIL-UNI-de614146-15
0.720
WIL-UNI-de614146-13
0.706
WIL-UNI-de614146-1
0.702
WIL-UNI-de614146-11
0.699
BRU-THA-92256091-16
0.629
ALP-UNI-fe744232-27
0.625
ALP-UNI-fe744232-24
0.606
BRU-THA-92256091-19
0.600
BRU-THA-92256091-18
0.594
ALP-UNI-fe744232-16
0.590
WIL-UNI-354943b6-14
0.587
ALP-UNI-fe744232-10
0.581
ALP-UNI-fe744232-7
0.579
ALP-UNI-fe744232-29
0.574
ALP-UNI-fe744232-8
0.574
BRU-THA-92256091-8
0.567
BRU-THA-92256091-22
0.566
ALP-UNI-fe744232-6
0.565
ALP-UNI-fe744232-20
0.560
ALP-UNI-fe744232-4
0.560
BRU-THA-92256091-24
0.557
ALP-POS-1245c3fa-1
0.557
ALP-POS-ced8ea4d-12
0.550
MAT-POS-f2460aef-3
0.546
BRU-THA-92256091-23
0.545
ALP-UNI-fe744232-28
0.545
ALP-UNI-fe744232-21
0.545
ALP-UNI-fe744232-2
0.543
BRU-THA-92256091-93
0.543
BRU-THA-92256091-15
0.541
BRU-THA-92256091-14
0.541
ALP-UNI-fe744232-26
0.540
WIL-UNI-354943b6-2
0.536
WIL-UNI-354943b6-10
0.536
WIL-UNI-354943b6-5
0.536
BRU-THA-92256091-21
0.536
BRU-THA-92256091-80
0.531
ALP-UNI-fe744232-23
0.530
WIL-UNI-354943b6-3
0.527
WIL-UNI-354943b6-7
0.527
BRU-THA-92256091-20
0.527
BRU-THA-92256091-84
0.525
ALP-POS-e980f4ea-12
0.523
WIL-UNI-354943b6-1
0.522
BRU-THA-92256091-30
0.518
WIL-UNI-354943b6-8
0.518
WIL-UNI-354943b6-12
0.518
BRU-THA-92256091-85
0.518
WIL-UNI-354943b6-9
0.513
WIL-UNI-354943b6-4
0.513
WIL-UNI-354943b6-11
0.513
WIL-UNI-354943b6-13
0.513
BRU-THA-92256091-32
0.509
BRU-THA-92256091-42
0.509
BRU-THA-92256091-31
0.504
BRU-THA-92256091-86
0.504
ALP-POS-42f3de95-2
0.500
BRU-THA-92256091-83
0.496
WIL-UNI-354943b6-6
0.492
BRU-THA-92256091-51
0.487
ALP-POS-1245c3fa-2
0.487
BRU-THA-92256091-91
0.484
BRU-THA-40a53a3c-1
0.477
BRU-THA-92256091-44
0.475
BRU-THA-92256091-65
0.475
BRU-THA-92256091-52
0.471
BRU-THA-92256091-62
0.471
ALP-POS-ced8ea4d-51
0.470
BRU-THA-92256091-75
0.470
BRU-THA-92256091-66
0.467
BRU-THA-92256091-61
0.467
BRU-THA-92256091-59
0.467
ALP-POS-84f19ead-3
0.465
BRU-THA-92256091-92
0.463
BRU-THA-92256091-63
0.463
BRU-THA-92256091-64
0.463
BRU-THA-92256091-60
0.459
BRU-THA-92256091-67
0.455
BRU-THA-92256091-54
0.455
BRU-THA-92256091-79
0.455
BRU-THA-92256091-55
0.452
BRU-THA-92256091-68
0.452
BRU-THA-92256091-12
0.446
ALP-POS-e980f4ea-51
0.444
ALP-POS-ced8ea4d-19
0.444
PET-UNK-48ab5cd7-3
0.443
BRU-THA-92256091-78
0.441