Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cccc(N2CC(C(=O)O)CC2=O)c1)c1cncnc1 |
MW: | 390.06 |
Fraction sp3: | 0.19 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 146.63 |
cLogP: | 0.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
Hetero_hetero
MAR-TRE-92684b97-9
0.475
MAR-TRE-9d18ae8c-47
0.470
MAR-TRE-9d18ae8c-44
0.460
MAR-TRE-4f781e27-10
0.456
MAR-TRE-e82e6c98-63
0.449
MAR-TRE-8190bb11-87
0.442
MAR-TRE-799db12b-53
0.435
MAR-TRE-66ac689e-6
0.435
MAR-TRE-66ac689e-13
0.434
MAR-TRE-9d18ae8c-82
0.429
MAR-TRE-4f781e27-97
0.427
MAR-TRE-66ac689e-4
0.427
MAR-TRE-66ac689e-65
0.427
MAR-TRE-4f781e27-62
0.427
MAR-TRE-8190bb11-32
0.427
MAR-TRE-4f781e27-87
0.427
MAR-TRE-a9136c7b-61
0.425
MAR-TRE-4f781e27-52
0.422
MAR-TRE-be9ff7d2-23
0.422
MAR-TRE-66ac689e-32
0.422
MAR-TRE-8190bb11-60
0.422
MAR-TRE-4f781e27-46
0.420
MAR-TRE-a9136c7b-1
0.419
MAR-TRE-799db12b-5
0.419
MAR-TRE-9d18ae8c-77
0.418
MAR-TRE-8190bb11-37
0.417
MAR-TRE-92684b97-60
0.415
MAR-TRE-66ac689e-16
0.412
MAR-TRE-92684b97-59
0.410
MAR-TRE-9d18ae8c-100
0.407
MAR-TRE-8190bb11-3
0.407
MAR-TRE-8190bb11-1
0.405
MAR-TRE-92684b97-94
0.400
MAR-TRE-92684b97-23
0.396
MAR-TRE-799db12b-81
0.396
MAR-TRE-8190bb11-29
0.393
MAR-TRE-c317dd82-1
0.391
MAR-TRE-be9ff7d2-45
0.391
MAR-TRE-799db12b-22
0.389
MAR-TRE-9d18ae8c-63
0.388
MAR-TRE-a9136c7b-88
0.387
MAR-TRE-8190bb11-94
0.385
MAR-TRE-a9136c7b-3
0.384
MAR-TRE-a9136c7b-79
0.383
MAR-TRE-a9136c7b-39
0.381
MAR-TRE-92684b97-30
0.380
MAR-TRE-a9136c7b-15
0.379
MAR-TRE-a9136c7b-99
0.376
MAR-TRE-4f781e27-15
0.375
MAR-TRE-4f781e27-90
0.375
MAR-TRE-4f781e27-17
0.372
MAR-TRE-a9136c7b-56
0.372
MAR-TRE-c317dd82-36
0.371
MAR-TRE-8190bb11-78
0.368
MAR-TRE-92684b97-65
0.367
MAR-TRE-8190bb11-21
0.366
MAR-TRE-92684b97-34
0.364
MAR-TRE-4f781e27-30
0.363
MAR-TRE-8190bb11-77
0.360
MAR-TRE-9d18ae8c-5
0.358
MAR-TRE-a9136c7b-43
0.356
MAR-TRE-66ac689e-63
0.356
MAR-TRE-e82e6c98-22
0.352
MAR-TRE-be9ff7d2-13
0.352
MAR-TRE-9d18ae8c-65
0.351
MAR-TRE-799db12b-6
0.351
MAR-TRE-a9136c7b-75
0.349
MAR-TRE-8190bb11-15
0.348
MAR-TRE-9d18ae8c-56
0.348
MAR-TRE-9d18ae8c-70
0.348
MAR-TRE-8190bb11-57
0.345
MAR-TRE-be9ff7d2-58
0.345
MAR-TRE-92684b97-40
0.345
MAR-TRE-8190bb11-12
0.344
MAR-TRE-799db12b-69
0.344
MAR-TRE-8190bb11-53
0.341
MAR-TRE-92684b97-48
0.341
MAR-TRE-4f781e27-63
0.341
MAR-TRE-4f781e27-89
0.340
MAR-TRE-92684b97-21
0.337
MAR-TRE-92684b97-13
0.337
MAR-TRE-799db12b-88
0.337
MAR-TRE-92684b97-90
0.337
MAR-TRE-8190bb11-19
0.337
MAR-TRE-a9136c7b-41
0.333
MAR-TRE-799db12b-10
0.333
MAR-TRE-8190bb11-44
0.333
MAR-TRE-9d18ae8c-25
0.333
MAR-TRE-9d18ae8c-75
0.333
MAR-TRE-4f781e27-72
0.333
MAR-TRE-66ac689e-78
0.333
MAR-TRE-799db12b-25
0.333
MAR-TRE-8190bb11-84
0.333
MAR-TRE-4f781e27-95
0.333
MAR-TRE-799db12b-42
0.330
MAR-TRE-a9136c7b-42
0.330
MAR-TRE-92684b97-42
0.330
MAR-TRE-8190bb11-38
0.330
MAR-TRE-8190bb11-45
0.330
MAR-TRE-a9136c7b-20
0.330