Molecular Properties | |
SMILES: | CC(C)Oc1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2ccon2)c2cccnc2)cc1 |
MW: | 474.2 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 126.24 |
cLogP: | 3.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
WIL-UNI-de614146-7
0.796
WIL-UNI-de614146-3
0.787
WIL-UNI-de614146-14
0.779
ALP-UNI-fe744232-24
0.779
WIL-UNI-de614146-6
0.765
WIL-UNI-de614146-8
0.750
WIL-UNI-de614146-16
0.745
WIL-UNI-de614146-5
0.742
WIL-UNI-de614146-9
0.737
WIL-UNI-de614146-4
0.735
WIL-UNI-de614146-2
0.727
WIL-UNI-de614146-10
0.723
WIL-UNI-de614146-11
0.718
BRU-THA-92256091-17
0.713
WIL-UNI-de614146-15
0.706
WIL-UNI-de614146-13
0.692
WIL-UNI-de614146-1
0.673
ALP-UNI-fe744232-5
0.635
ALP-UNI-fe744232-10
0.631
ALP-UNI-fe744232-27
0.629
BRU-THA-92256091-16
0.617
ALP-UNI-fe744232-8
0.607
ALP-UNI-fe744232-7
0.598
ALP-UNI-fe744232-16
0.594
ALP-UNI-fe744232-29
0.593
BRU-THA-92256091-19
0.589
ALP-UNI-fe744232-6
0.583
BRU-THA-92256091-18
0.583
ALP-UNI-fe744232-20
0.578
ALP-UNI-fe744232-4
0.578
ALP-UNI-fe744232-21
0.577
ALP-UNI-fe744232-23
0.575
ALP-POS-ced8ea4d-12
0.568
WIL-UNI-354943b6-14
0.562
ALP-UNI-fe744232-28
0.562
BRU-THA-92256091-24
0.561
ALP-UNI-fe744232-26
0.558
BRU-THA-92256091-22
0.556
ALP-UNI-fe744232-2
0.547
ALP-POS-1245c3fa-1
0.546
BRU-THA-92256091-8
0.542
MAT-POS-f2460aef-3
0.536
BRU-THA-92256091-23
0.536
BRU-THA-92256091-80
0.535
BRU-THA-92256091-93
0.534
BRU-THA-92256091-15
0.532
BRU-THA-92256091-14
0.531
BRU-THA-92256091-84
0.529
WIL-UNI-354943b6-2
0.527
WIL-UNI-354943b6-10
0.527
BRU-THA-92256091-21
0.526
WIL-UNI-354943b6-12
0.522
ALP-POS-42f3de95-2
0.518
WIL-UNI-354943b6-3
0.518
WIL-UNI-354943b6-7
0.518
BRU-THA-92256091-20
0.518
ALP-POS-e980f4ea-12
0.513
WIL-UNI-354943b6-5
0.513
WIL-UNI-354943b6-1
0.513
BRU-THA-92256091-30
0.509
BRU-THA-92256091-85
0.509
WIL-UNI-354943b6-8
0.509
WIL-UNI-354943b6-9
0.504
WIL-UNI-354943b6-4
0.504
WIL-UNI-354943b6-11
0.504
BRU-THA-92256091-42
0.500
BRU-THA-92256091-32
0.500
BRU-THA-92256091-86
0.496
BRU-THA-92256091-31
0.496
WIL-UNI-354943b6-13
0.492
BRU-THA-92256091-91
0.488
BRU-THA-92256091-83
0.488
ALP-POS-ced8ea4d-51
0.487
WIL-UNI-354943b6-6
0.484
BRU-THA-92256091-65
0.479
ALP-POS-1245c3fa-2
0.478
BRU-THA-92256091-75
0.475
BRU-THA-92256091-66
0.472
BRU-THA-92256091-67
0.472
BRU-THA-40a53a3c-1
0.468
BRU-THA-92256091-68
0.468
BRU-THA-92256091-64
0.467
BRU-THA-92256091-51
0.467
BRU-THA-92256091-52
0.463
BRU-THA-92256091-62
0.463
ALP-POS-ced8ea4d-19
0.462
BRU-THA-92256091-54
0.460
BRU-THA-92256091-61
0.459
BRU-THA-92256091-79
0.459
BRU-THA-92256091-59
0.459
ALP-POS-ced8ea4d-67
0.458
ALP-POS-84f19ead-3
0.456
BRU-THA-92256091-44
0.456
BRU-THA-92256091-55
0.456
BRU-THA-92256091-92
0.456
BRU-THA-92256091-60
0.452
BRU-THA-92256091-63
0.444
ALP-UNI-fe744232-30
0.443
ALP-POS-84f19ead-2
0.441
ALP-POS-95f71980-4
0.440