Molecular Properties | |
SMILES: | COC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2cncnc2)c1 |
MW: | 350.07 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 127.35 |
cLogP: | 0.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
Dye 22
Hetero_hetero
MAR-TRE-799db12b-37
0.649
MAR-TRE-66ac689e-76
0.595
MAR-TRE-66ac689e-25
0.587
MAR-TRE-799db12b-25
0.551
MAR-TRE-66ac689e-10
0.537
MAR-TRE-9d18ae8c-77
0.525
MAR-TRE-9d18ae8c-82
0.482
MAR-TRE-799db12b-34
0.481
MAR-TRE-66ac689e-65
0.481
MAR-TRE-8190bb11-4
0.469
MAR-TRE-4f781e27-47
0.446
MAR-TRE-799db12b-39
0.438
MAR-TRE-799db12b-43
0.429
MAR-TRE-66ac689e-8
0.415
MAR-TRE-a9136c7b-42
0.405
MAR-TRE-66ac689e-27
0.402
MAR-TRE-92684b97-55
0.398
MAR-TRE-66ac689e-30
0.395
MAR-TRE-8190bb11-87
0.393
MAR-TRE-66ac689e-31
0.388
MAR-TRE-9d18ae8c-2
0.386
MAR-TRE-799db12b-93
0.379
MAR-TRE-9d18ae8c-9
0.375
MAR-TRE-799db12b-40
0.375
MAR-TRE-92684b97-25
0.375
MAR-TRE-9d18ae8c-11
0.371
MAR-TRE-92684b97-9
0.370
MAR-TRE-66ac689e-22
0.369
MAR-TRE-9d18ae8c-47
0.369
MAR-TRE-9d18ae8c-18
0.368
MAR-TRE-e82e6c98-38
0.368
MAR-TRE-799db12b-2
0.368
MAR-TRE-799db12b-33
0.368
MAR-TRE-4f781e27-43
0.366
MAR-TRE-a9136c7b-57
0.364
MAR-TRE-799db12b-56
0.364
MAR-TRE-8190bb11-52
0.364
MAR-TRE-4f781e27-2
0.364
MAR-TRE-a9136c7b-9
0.363
MAR-TRE-4f781e27-12
0.362
MAR-TRE-66ac689e-72
0.361
MAR-TRE-9d18ae8c-7
0.360
MAR-TRE-66ac689e-88
0.358
MAR-TRE-2fd8122f-2
0.356
MAR-TRE-9d18ae8c-43
0.356
MAR-TRE-be9ff7d2-36
0.354
MAR-TRE-e82e6c98-58
0.353
MAR-TRE-66ac689e-37
0.353
MAR-TRE-799db12b-26
0.352
MAR-TRE-92684b97-89
0.349
MAR-TRE-9d18ae8c-53
0.349
MAR-TRE-c317dd82-16
0.348
MAR-TRE-9d18ae8c-52
0.348
MAR-TRE-9d18ae8c-10
0.348
MAR-TRE-92684b97-60
0.346
MAR-TRE-e82e6c98-80
0.346
MAR-TRE-e82e6c98-74
0.346
MAR-TRE-799db12b-16
0.345
MAR-TRE-799db12b-27
0.345
MAR-TRE-4f781e27-80
0.345
MAR-TRE-4f781e27-49
0.342
MAR-TRE-8190bb11-38
0.341
MAR-TRE-92684b97-1
0.341
MAR-TRE-be9ff7d2-83
0.337
MAR-TRE-799db12b-73
0.337
MAR-TRE-66ac689e-73
0.337
MAR-TRE-799db12b-5
0.337
MAR-TRE-799db12b-75
0.337
MAR-TRE-799db12b-24
0.337
MAR-TRE-799db12b-3
0.337
MAR-TRE-9d18ae8c-54
0.337
MAR-TRE-9d18ae8c-30
0.333
MAR-TRE-9d18ae8c-44
0.333
MAR-TRE-c317dd82-39
0.333
MAR-TRE-c317dd82-56
0.333
MAR-TRE-a9136c7b-10
0.333
MAR-TRE-66ac689e-13
0.333
MAR-TRE-799db12b-74
0.333
MAR-TRE-4f781e27-37
0.333
MAR-TRE-9d18ae8c-1
0.330
MAR-TRE-4f781e27-67
0.330
MAR-TRE-c317dd82-19
0.330
MAR-TRE-c317dd82-90
0.330
MAR-TRE-a9136c7b-61
0.330
MAR-TRE-92684b97-82
0.330
MAR-TRE-9d18ae8c-40
0.329
MAR-TRE-c317dd82-91
0.329
MAR-TRE-66ac689e-16
0.329
MAR-TRE-799db12b-10
0.329
MAR-TRE-799db12b-51
0.326
MAR-TRE-4f781e27-71
0.326
MAR-TRE-66ac689e-98
0.326
MAR-TRE-92684b97-59
0.325
MAR-TRE-c317dd82-63
0.325
MAR-TRE-9d18ae8c-15
0.325
MAR-TRE-4f781e27-62
0.325
MAR-TRE-9d18ae8c-34
0.323
MAR-TRE-799db12b-97
0.323
MAR-TRE-92684b97-6
0.323
MAR-TRE-9d18ae8c-4
0.322