Molecular Properties | |
SMILES: | CC(C)Oc1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2ccc(CO)cc2)c2cccnc2)cc1 |
MW: | 513.24 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 11 |
TPSA: | 120.44 |
cLogP: | 3.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
WIL-UNI-de614146-8
0.846
WIL-UNI-de614146-7
0.815
WIL-UNI-de614146-15
0.812
WIL-UNI-de614146-5
0.798
WIL-UNI-de614146-13
0.796
WIL-UNI-de614146-10
0.794
BRU-THA-92256091-17
0.765
WIL-UNI-de614146-6
0.765
ALP-UNI-fe744232-6
0.763
WIL-UNI-de614146-1
0.755
WIL-UNI-de614146-11
0.752
WIL-UNI-de614146-3
0.750
WIL-UNI-de614146-16
0.745
WIL-UNI-de614146-14
0.742
WIL-UNI-de614146-12
0.735
WIL-UNI-de614146-2
0.727
WIL-UNI-de614146-9
0.720
BRU-THA-92256091-16
0.663
BRU-THA-92256091-19
0.650
ALP-UNI-fe744232-16
0.641
BRU-THA-92256091-18
0.629
WIL-UNI-354943b6-14
0.620
ALP-UNI-fe744232-28
0.620
ALP-UNI-fe744232-10
0.615
ALP-UNI-fe744232-26
0.615
ALP-UNI-fe744232-7
0.613
BRU-THA-92256091-23
0.607
ALP-UNI-fe744232-21
0.606
BRU-THA-92256091-22
0.600
ALP-UNI-fe744232-8
0.593
ALP-POS-1245c3fa-1
0.590
BRU-THA-92256091-24
0.590
ALP-UNI-fe744232-2
0.588
ALP-POS-ced8ea4d-12
0.582
MAT-POS-f2460aef-3
0.579
ALP-UNI-fe744232-29
0.578
ALP-UNI-fe744232-23
0.575
BRU-THA-92256091-15
0.574
ALP-UNI-fe744232-5
0.574
BRU-THA-92256091-93
0.574
BRU-THA-92256091-20
0.573
BRU-THA-92256091-14
0.573
BRU-THA-92256091-8
0.571
WIL-UNI-354943b6-2
0.569
WIL-UNI-354943b6-10
0.569
ALP-UNI-fe744232-27
0.569
BRU-THA-92256091-21
0.568
ALP-UNI-fe744232-24
0.565
BRU-THA-92256091-30
0.564
BRU-THA-92256091-80
0.562
WIL-UNI-354943b6-3
0.559
WIL-UNI-354943b6-7
0.559
WIL-UNI-354943b6-9
0.558
WIL-UNI-354943b6-11
0.557
BRU-THA-92256091-84
0.555
ALP-POS-e980f4ea-12
0.555
WIL-UNI-354943b6-5
0.554
WIL-UNI-354943b6-1
0.553
BRU-THA-92256091-31
0.550
ALP-UNI-fe744232-4
0.550
ALP-UNI-fe744232-20
0.550
BRU-THA-92256091-85
0.549
WIL-UNI-354943b6-8
0.549
WIL-UNI-354943b6-12
0.549
BRU-THA-92256091-86
0.548
BRU-THA-92256091-32
0.541
BRU-THA-92256091-42
0.539
WIL-UNI-354943b6-6
0.534
WIL-UNI-354943b6-4
0.530
WIL-UNI-354943b6-13
0.530
BRU-THA-92256091-83
0.525
ALP-POS-1245c3fa-2
0.518
BRU-THA-92256091-91
0.512
BRU-THA-92256091-65
0.504
BRU-THA-92256091-44
0.504
BRU-THA-92256091-92
0.504
BRU-THA-92256091-75
0.500
BRU-THA-92256091-62
0.500
ALP-POS-ced8ea4d-51
0.500
BRU-THA-92256091-66
0.496
BRU-THA-92256091-59
0.496
BRU-THA-92256091-61
0.496
BRU-THA-92256091-64
0.492
BRU-THA-92256091-51
0.492
BRU-THA-92256091-60
0.488
BRU-THA-92256091-52
0.488
BRU-THA-92256091-12
0.487
ALP-POS-ced8ea4d-19
0.487
BRU-THA-92256091-54
0.484
BRU-THA-92256091-67
0.484
BRU-THA-92256091-79
0.483
BRU-THA-92256091-55
0.480
BRU-THA-92256091-63
0.480
BRU-THA-92256091-68
0.480
ALP-POS-e980f4ea-51
0.474
ALP-POS-ced8ea4d-67
0.470
BRU-THA-40a53a3c-1
0.468
BRU-THA-92256091-78
0.468
ALP-UNI-fe744232-30
0.467
ALP-POS-42f3de95-2
0.465