Molecular Properties | |
SMILES: | O=C1CN(S(=O)(=O)c2cccc(CNC(=O)c3cncnc3)c2)CCN1 |
MW: | 375.1 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 121.36 |
cLogP: | -0.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-a9136c7b-31
0.522
MAR-TRE-799db12b-72
0.494
MAR-TRE-66ac689e-73
0.453
MAR-TRE-799db12b-69
0.451
MAR-TRE-8190bb11-34
0.449
MAR-TRE-66ac689e-54
0.446
MAR-TRE-9d18ae8c-36
0.444
MAR-TRE-8190bb11-27
0.442
MAR-TRE-9d18ae8c-65
0.441
MAR-TRE-4f781e27-92
0.432
MAR-TRE-92684b97-81
0.432
MAR-TRE-799db12b-14
0.430
MAR-TRE-9d18ae8c-6
0.427
MAR-TRE-9d18ae8c-49
0.426
MAR-TRE-66ac689e-26
0.425
MAR-TRE-66ac689e-1
0.424
MAR-TRE-66ac689e-37
0.420
MAR-TRE-8190bb11-8
0.419
MAR-TRE-8190bb11-31
0.419
MAR-TRE-799db12b-2
0.418
MAR-TRE-799db12b-24
0.418
MAR-TRE-799db12b-33
0.418
MAR-TRE-9d18ae8c-46
0.418
MAR-TRE-799db12b-44
0.416
MAR-TRE-9d18ae8c-53
0.416
MAR-TRE-9d18ae8c-34
0.415
MAR-TRE-2fd8122f-22
0.415
MAR-TRE-be9ff7d2-17
0.414
MAR-TRE-4f781e27-2
0.413
MAR-TRE-92684b97-82
0.411
MAR-TRE-799db12b-16
0.411
MAR-TRE-799db12b-27
0.411
MAR-TRE-9d18ae8c-7
0.409
MAR-TRE-9d18ae8c-16
0.406
MAR-TRE-799db12b-76
0.406
MAR-TRE-8190bb11-13
0.405
MAR-TRE-799db12b-51
0.404
MAR-TRE-9d18ae8c-11
0.404
MAR-TRE-a9136c7b-11
0.404
MAR-TRE-92684b97-11
0.402
MAR-TRE-799db12b-3
0.402
MAR-TRE-9d18ae8c-54
0.402
MAR-TRE-9d18ae8c-18
0.402
MAR-TRE-799db12b-97
0.400
MAR-TRE-92684b97-6
0.400
MAR-TRE-e82e6c98-25
0.398
MAR-TRE-66ac689e-33
0.398
MAR-TRE-9d18ae8c-52
0.398
MAR-TRE-9d18ae8c-30
0.398
MAR-TRE-8190bb11-80
0.398
MAR-TRE-66ac689e-12
0.398
MAR-TRE-8190bb11-24
0.398
MAR-TRE-9d18ae8c-10
0.396
MAR-TRE-8190bb11-86
0.396
MAK-UNK-009ebe36-7
0.394
MAR-TRE-9d18ae8c-43
0.389
MAR-TRE-799db12b-18
0.388
MAR-TRE-799db12b-4
0.384
MAR-TRE-66ac689e-47
0.383
MAR-TRE-a9136c7b-4
0.379
MAR-TRE-8190bb11-50
0.375
MAR-TRE-799db12b-64
0.371
MAR-TRE-66ac689e-20
0.370
MAR-TRE-799db12b-34
0.368
MAR-TRE-66ac689e-21
0.366
MAR-TRE-799db12b-35
0.364
MAR-TRE-4f781e27-99
0.364
MAR-TRE-4f781e27-88
0.362
MAR-TRE-799db12b-52
0.362
MAR-TRE-a9136c7b-14
0.358
MAR-TRE-92684b97-78
0.357
MAK-UNK-69bf97dd-1
0.356
MAR-TRE-4f781e27-48
0.354
MAR-TRE-a9136c7b-17
0.351
MAR-TRE-8190bb11-85
0.349
MAR-TRE-9d18ae8c-89
0.348
MAR-TRE-e82e6c98-12
0.348
MAR-TRE-9d18ae8c-47
0.344
MAR-TRE-4f781e27-100
0.344
MAR-TRE-e82e6c98-91
0.340
MAR-TRE-4f781e27-55
0.340
MAR-TRE-8190bb11-42
0.337
MAR-TRE-799db12b-89
0.337
MAR-TRE-66ac689e-29
0.333
MAR-TRE-799db12b-48
0.330
MAR-TRE-799db12b-59
0.330
MAR-TRE-e82e6c98-35
0.330
MAR-TRE-c317dd82-55
0.326
MAR-TRE-4f781e27-67
0.323
RAL-MED-2de63afb-5
0.323
MAR-TRE-fd17a9b8-62
0.323
MAR-TRE-e82e6c98-93
0.323
MAR-TRE-92684b97-53
0.323
MAR-TRE-92684b97-91
0.323
MAR-TRE-a9136c7b-16
0.321
MAR-TRE-be9ff7d2-95
0.320
MAR-TRE-c317dd82-81
0.320
MAR-TRE-e82e6c98-64
0.320
MAR-TRE-799db12b-7
0.320
MAR-TRE-66ac689e-31
0.320