Molecular Properties | |
SMILES: | N#Cc1ccnc(S(=O)(=O)NC(=O)c2cncnc2)c1 |
MW: | 289.03 |
Fraction sp3: | 0.0 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 125.7 |
cLogP: | -0.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-be9ff7d2-58
0.619
MAR-TRE-92684b97-9
0.537
MAR-TRE-8190bb11-84
0.500
MAR-TRE-92684b97-69
0.500
MAR-TRE-a9136c7b-39
0.485
MAR-TRE-8190bb11-60
0.471
MAR-TRE-a9136c7b-43
0.471
MAR-TRE-8190bb11-44
0.464
MAR-TRE-92684b97-60
0.464
MAR-TRE-92684b97-59
0.457
MAR-TRE-8190bb11-1
0.451
MAR-TRE-be9ff7d2-23
0.451
MAR-TRE-92684b97-21
0.449
MAR-TRE-92684b97-24
0.438
MAR-TRE-66ac689e-39
0.438
MAR-TRE-be9ff7d2-31
0.423
MAR-TRE-8190bb11-15
0.419
MAR-TRE-4f781e27-46
0.408
MAR-TRE-4f781e27-72
0.403
MAR-TRE-4f781e27-95
0.403
MAR-TRE-92684b97-65
0.403
MAR-TRE-92684b97-90
0.403
MAR-TRE-e82e6c98-63
0.400
MAR-TRE-a9136c7b-84
0.400
MAR-TRE-799db12b-10
0.400
MAR-TRE-4f781e27-62
0.397
MAR-TRE-4f781e27-87
0.397
MAR-TRE-8190bb11-32
0.397
MAR-TRE-92684b97-40
0.397
MAR-TRE-8190bb11-29
0.397
MAR-TRE-a9136c7b-20
0.397
MAR-TRE-8190bb11-57
0.397
MAR-TRE-799db12b-30
0.395
MAR-TRE-9d18ae8c-100
0.395
MAR-TRE-8190bb11-3
0.395
MAR-TRE-4f781e27-17
0.392
MAR-TRE-92684b97-48
0.392
MAR-TRE-9d18ae8c-63
0.392
MAR-TRE-a9136c7b-56
0.392
MAR-TRE-66ac689e-32
0.392
MAR-TRE-8190bb11-53
0.392
MAR-TRE-92684b97-58
0.390
MAR-TRE-8190bb11-78
0.387
MAR-TRE-92684b97-13
0.387
MAR-TRE-66ac689e-13
0.387
MAR-TRE-be9ff7d2-13
0.387
MAR-TRE-a9136c7b-3
0.387
MAR-TRE-8190bb11-37
0.387
MAR-TRE-a9136c7b-75
0.384
MAR-TRE-be9ff7d2-63
0.384
MAR-TRE-92684b97-30
0.383
MAR-TRE-799db12b-81
0.383
MAR-TRE-66ac689e-16
0.382
MAR-TRE-be9ff7d2-17
0.382
MAR-TRE-a9136c7b-15
0.382
MAR-TRE-4f781e27-50
0.378
MAR-TRE-a9136c7b-40
0.378
MAR-TRE-4f781e27-52
0.378
MAR-TRE-a9136c7b-99
0.378
MAR-TRE-8190bb11-77
0.377
MAR-TRE-4f781e27-15
0.377
MAR-TRE-be9ff7d2-45
0.377
MAR-TRE-c317dd82-1
0.377
MAR-TRE-4f781e27-66
0.375
MAR-TRE-92684b97-42
0.375
MAR-TRE-e82e6c98-89
0.373
MAR-TRE-e82e6c98-45
0.373
MAR-TRE-4f781e27-42
0.373
MAR-TRE-a9136c7b-92
0.373
MAR-TRE-4f781e27-63
0.372
MAR-TRE-799db12b-5
0.372
MAR-TRE-e82e6c98-58
0.372
MAR-TRE-799db12b-53
0.372
MAR-TRE-9d18ae8c-47
0.372
MAR-TRE-66ac689e-6
0.372
MAR-TRE-66ac689e-63
0.372
MAR-TRE-c317dd82-43
0.370
MAR-TRE-a9136c7b-60
0.367
MAR-TRE-a9136c7b-87
0.367
MAR-TRE-799db12b-77
0.367
MAR-TRE-66ac689e-44
0.367
MAR-TRE-4f781e27-61
0.366
MAR-TRE-66ac689e-4
0.366
MAR-TRE-9d18ae8c-44
0.366
MAR-TRE-be9ff7d2-4
0.366
MAR-TRE-92684b97-34
0.364
MAR-TRE-9d18ae8c-25
0.364
MAR-TRE-c317dd82-100
0.364
MAR-TRE-8190bb11-87
0.362
MAR-TRE-4f781e27-30
0.362
MAR-TRE-9d18ae8c-70
0.362
MAR-TRE-a9136c7b-90
0.362
MAR-TRE-a9136c7b-61
0.362
MAR-TRE-8190bb11-45
0.359
MAR-TRE-4f781e27-54
0.359
MAR-TRE-799db12b-38
0.359
MAR-TRE-4f781e27-90
0.359
MAR-TRE-8190bb11-12
0.359
MAR-TRE-be9ff7d2-27
0.358
MAR-TRE-e82e6c98-98
0.358