Molecular Properties | |
SMILES: | CC(C)c1ccc(C(CC(=O)O)NC(=O)c2cncnc2)cc1 |
MW: | 313.14 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 92.18 |
cLogP: | 2.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-56
0.759
MAR-TRE-9d18ae8c-21
0.732
MAR-TRE-66ac689e-18
0.719
MAR-TRE-e82e6c98-70
0.691
MAR-TRE-66ac689e-80
0.587
MAR-TRE-92684b97-86
0.587
MAR-TRE-a9136c7b-49
0.585
MAR-TRE-66ac689e-41
0.581
MAR-TRE-66ac689e-95
0.571
MAR-TRE-92684b97-71
0.571
MAR-TRE-8190bb11-11
0.565
MAR-TRE-9d18ae8c-40
0.562
MAR-TRE-799db12b-46
0.562
MAR-TRE-66ac689e-97
0.561
MAR-TRE-a9136c7b-71
0.551
MAR-TRE-a9136c7b-59
0.544
MAR-TRE-66ac689e-49
0.524
MAR-TRE-799db12b-50
0.522
MAR-TRE-66ac689e-62
0.516
MAR-TRE-66ac689e-79
0.515
MAR-TRE-799db12b-47
0.500
MAR-TRE-4f781e27-73
0.500
MAR-TRE-a9136c7b-55
0.500
MAR-TRE-66ac689e-57
0.500
MAR-TRE-e82e6c98-46
0.493
MAR-TRE-9d18ae8c-97
0.493
MAR-TRE-c317dd82-94
0.493
MAR-TRE-8190bb11-47
0.492
MAR-TRE-e82e6c98-13
0.485
MAR-TRE-92684b97-2
0.479
MAR-TRE-799db12b-80
0.471
MAR-TRE-799db12b-94
0.471
MAR-TRE-4f781e27-71
0.458
MAR-TRE-799db12b-15
0.451
MAR-TRE-92684b97-80
0.448
MAR-TRE-66ac689e-92
0.444
MAR-TRE-4f781e27-4
0.444
MAR-TRE-8190bb11-54
0.441
MAR-TRE-be9ff7d2-48
0.439
MAR-TRE-92684b97-87
0.439
MAR-TRE-8190bb11-93
0.427
MAR-TRE-a9136c7b-69
0.427
MAR-TRE-8190bb11-6
0.425
MAR-TRE-8190bb11-5
0.424
MAR-TRE-92684b97-85
0.423
MAR-TRE-799db12b-61
0.420
MAR-TRE-8190bb11-72
0.420
MAR-TRE-799db12b-96
0.420
MAR-TRE-8190bb11-97
0.420
MAR-TRE-4f781e27-91
0.420
MAR-TRE-be9ff7d2-47
0.415
MAR-TRE-9d18ae8c-24
0.410
MAR-TRE-799db12b-95
0.409
MAR-TRE-8190bb11-91
0.409
MAR-TRE-9d18ae8c-51
0.408
MAR-TRE-8190bb11-90
0.408
MAR-TRE-c317dd82-21
0.406
MAR-TRE-9d18ae8c-85
0.406
MAR-TRE-9d18ae8c-87
0.406
MAR-TRE-66ac689e-64
0.405
MAR-TRE-e82e6c98-30
0.403
MAR-TRE-66ac689e-58
0.403
MAR-TRE-4f781e27-70
0.403
MAR-TRE-799db12b-32
0.403
MAR-TRE-be9ff7d2-84
0.403
MAR-TRE-66ac689e-68
0.403
MAR-TRE-66ac689e-3
0.400
MAR-TRE-a9136c7b-46
0.400
MAR-TRE-4f781e27-24
0.400
MAR-TRE-4f781e27-44
0.397
MAR-TRE-799db12b-91
0.397
MAR-TRE-9d18ae8c-50
0.395
MAR-TRE-e82e6c98-100
0.394
MAR-TRE-9d18ae8c-67
0.394
MAR-TRE-a9136c7b-70
0.392
MAR-TRE-66ac689e-94
0.392
MAR-TRE-4f781e27-51
0.392
MAR-TRE-66ac689e-82
0.392
MAR-TRE-9d18ae8c-41
0.392
MAR-TRE-8190bb11-48
0.391
MAR-TRE-8190bb11-59
0.391
MAR-TRE-4f781e27-39
0.391
MAR-TRE-a9136c7b-58
0.390
MAR-TRE-a9136c7b-33
0.389
MAR-TRE-9d18ae8c-28
0.389
MAR-TRE-66ac689e-56
0.387
MAR-TRE-799db12b-31
0.387
MAR-TRE-9d18ae8c-80
0.387
MAR-TRE-9d18ae8c-64
0.386
MAR-TRE-a9136c7b-66
0.386
MAR-TRE-c317dd82-41
0.385
MAR-TRE-92684b97-68
0.385
MAR-TRE-92684b97-15
0.384
MAR-TRE-be9ff7d2-68
0.384
MAR-TRE-66ac689e-100
0.384
MAR-TRE-799db12b-79
0.384
MAR-TRE-92684b97-63
0.382
MAR-TRE-a9136c7b-62
0.382
MAR-TRE-e82e6c98-20
0.380
MAR-TRE-799db12b-23
0.380