Molecular Properties | |
SMILES: | CC(C)Oc1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2cnoc2)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
0.809
WIL-UNI-de614146-8
0.800
ALP-UNI-fe744232-8
0.786
WIL-UNI-de614146-5
0.773
WIL-UNI-de614146-4
0.765
WIL-UNI-de614146-12
0.765
WIL-UNI-de614146-10
0.752
WIL-UNI-de614146-3
0.745
BRU-THA-92256091-17
0.743
WIL-UNI-de614146-14
0.737
WIL-UNI-de614146-15
0.735
WIL-UNI-de614146-9
0.733
WIL-UNI-de614146-16
0.723
WIL-UNI-de614146-13
0.721
WIL-UNI-de614146-11
0.714
WIL-UNI-de614146-2
0.706
WIL-UNI-de614146-1
0.701
BRU-THA-92256091-16
0.645
ALP-UNI-fe744232-10
0.644
ALP-UNI-fe744232-16
0.638
ALP-UNI-fe744232-7
0.626
BRU-THA-92256091-19
0.617
ALP-UNI-fe744232-6
0.611
BRU-THA-92256091-18
0.611
ALP-UNI-fe744232-24
0.607
ALP-UNI-fe744232-21
0.604
ALP-UNI-fe744232-5
0.602
ALP-UNI-fe744232-27
0.596
ALP-POS-ced8ea4d-12
0.595
WIL-UNI-354943b6-14
0.589
ALP-UNI-fe744232-28
0.589
ALP-UNI-fe744232-26
0.584
BRU-THA-92256091-22
0.583
ALP-UNI-fe744232-29
0.577
ALP-UNI-fe744232-20
0.577
BRU-THA-92256091-24
0.574
ALP-POS-1245c3fa-1
0.574
ALP-UNI-fe744232-23
0.574
ALP-UNI-fe744232-2
0.573
BRU-THA-92256091-8
0.570
MAT-POS-f2460aef-3
0.564
ALP-UNI-fe744232-4
0.562
BRU-THA-92256091-23
0.562
BRU-THA-92256091-80
0.561
BRU-THA-92256091-93
0.559
BRU-THA-92256091-15
0.559
BRU-THA-92256091-14
0.558
BRU-THA-92256091-84
0.554
WIL-UNI-354943b6-2
0.554
WIL-UNI-354943b6-10
0.554
BRU-THA-92256091-21
0.553
WIL-UNI-354943b6-12
0.548
WIL-UNI-354943b6-7
0.544
WIL-UNI-354943b6-3
0.544
BRU-THA-92256091-20
0.544
ALP-POS-e980f4ea-12
0.540
WIL-UNI-354943b6-5
0.539
WIL-UNI-354943b6-1
0.538
BRU-THA-92256091-30
0.535
WIL-UNI-354943b6-8
0.534
BRU-THA-92256091-85
0.534
BRU-THA-92256091-86
0.534
WIL-UNI-354943b6-9
0.530
WIL-UNI-354943b6-4
0.529
WIL-UNI-354943b6-11
0.529
BRU-THA-92256091-32
0.526
BRU-THA-92256091-42
0.525
BRU-THA-92256091-31
0.522
WIL-UNI-354943b6-13
0.517
ALP-POS-ced8ea4d-51
0.513
BRU-THA-92256091-83
0.512
BRU-THA-92256091-91
0.512
WIL-UNI-354943b6-6
0.508
ALP-POS-1245c3fa-2
0.504
BRU-THA-92256091-52
0.500
BRU-THA-92256091-66
0.496
BRU-THA-92256091-79
0.496
BRU-THA-92256091-65
0.492
BRU-THA-92256091-51
0.492
ALP-POS-42f3de95-2
0.491
BRU-THA-92256091-62
0.488
BRU-THA-92256091-75
0.487
ALP-POS-ced8ea4d-19
0.487
BRU-THA-92256091-67
0.484
BRU-THA-92256091-54
0.484
BRU-THA-92256091-59
0.484
BRU-THA-92256091-61
0.484
ALP-POS-ced8ea4d-67
0.483
BRU-THA-92256091-55
0.480
BRU-THA-92256091-44
0.480
BRU-THA-92256091-68
0.480
BRU-THA-92256091-92
0.480
BRU-THA-92256091-64
0.480
BRU-THA-92256091-60
0.476
BRU-THA-92256091-78
0.469
BRU-THA-92256091-63
0.468
ALP-UNI-fe744232-30
0.467
ALP-POS-e980f4ea-51
0.462
BRU-THA-40a53a3c-1
0.456
BRU-THA-92256091-76
0.454