Molecular Properties | |
SMILES: | N#Cc1cccc(S(=O)(=O)NC(=O)c2cncnc2)c1 |
MW: | 288.03 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 112.81 |
cLogP: | 0.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-a9136c7b-39
0.587
MAR-TRE-92684b97-60
0.587
MAR-TRE-92684b97-59
0.578
MAR-TRE-8190bb11-60
0.569
MAR-TRE-8190bb11-1
0.569
MAR-TRE-8190bb11-87
0.565
MAR-TRE-9d18ae8c-47
0.559
MAR-TRE-9d18ae8c-44
0.542
MAR-TRE-c317dd82-28
0.537
MAR-TRE-92684b97-69
0.529
MAR-TRE-4f781e27-46
0.523
MAR-TRE-66ac689e-65
0.521
MAR-TRE-8190bb11-32
0.507
MAR-TRE-4f781e27-62
0.507
MAR-TRE-4f781e27-87
0.507
MAR-TRE-8190bb11-84
0.507
MAR-TRE-9d18ae8c-77
0.507
MAR-TRE-66ac689e-32
0.500
MAR-TRE-9d18ae8c-82
0.500
MAR-TRE-be9ff7d2-23
0.500
MAR-TRE-4f781e27-52
0.493
MAR-TRE-66ac689e-6
0.493
MAR-TRE-8190bb11-37
0.493
MAR-TRE-66ac689e-13
0.493
MAR-TRE-e82e6c98-63
0.492
MAR-TRE-8190bb11-15
0.486
MAR-TRE-66ac689e-16
0.486
MAR-TRE-799db12b-81
0.480
MAR-TRE-8190bb11-3
0.479
MAR-TRE-9d18ae8c-100
0.479
MAR-TRE-92684b97-21
0.478
MAR-TRE-799db12b-1
0.475
MAR-TRE-799db12b-5
0.472
MAR-TRE-799db12b-53
0.472
MAR-TRE-92684b97-65
0.466
MAR-TRE-8190bb11-29
0.464
MAR-TRE-92684b97-30
0.461
MAR-TRE-a9136c7b-61
0.459
MAR-TRE-a9136c7b-43
0.457
MAR-TRE-9d18ae8c-63
0.457
MAR-TRE-a9136c7b-3
0.451
MAR-TRE-8190bb11-44
0.449
MAR-TRE-a9136c7b-88
0.449
MAR-TRE-8190bb11-94
0.447
MAR-TRE-92684b97-94
0.447
MAR-TRE-a9136c7b-15
0.444
MAR-TRE-92684b97-34
0.444
MAR-TRE-66ac689e-4
0.442
MAR-TRE-4f781e27-97
0.442
MAR-TRE-92684b97-23
0.442
MAR-TRE-be9ff7d2-45
0.438
MAR-TRE-4f781e27-15
0.438
MAR-TRE-a9136c7b-56
0.437
MAR-TRE-92684b97-13
0.431
MAR-TRE-be9ff7d2-31
0.429
MAR-TRE-a9136c7b-79
0.425
MAR-TRE-799db12b-10
0.425
MAR-TRE-92684b97-40
0.423
MAR-TRE-4f781e27-10
0.420
MAR-TRE-c317dd82-1
0.419
MAR-TRE-a9136c7b-99
0.418
MAR-TRE-4f781e27-17
0.417
MAR-TRE-a9136c7b-1
0.415
MAR-TRE-4f781e27-63
0.413
MAR-TRE-9d18ae8c-5
0.412
MAR-TRE-8190bb11-78
0.411
MAR-TRE-4f781e27-95
0.408
MAR-TRE-799db12b-77
0.408
MAR-TRE-66ac689e-44
0.408
MAR-TRE-92684b97-24
0.405
MAR-TRE-8190bb11-21
0.405
MAR-TRE-8190bb11-57
0.403
MAR-TRE-be9ff7d2-58
0.403
MAR-TRE-4f781e27-30
0.403
MAR-TRE-8190bb11-45
0.400
MAR-TRE-8190bb11-77
0.400
MAR-TRE-4f781e27-90
0.400
MAR-TRE-799db12b-22
0.397
MAR-TRE-92684b97-42
0.397
MAR-TRE-a9136c7b-92
0.397
MAR-TRE-92684b97-48
0.397
MAR-TRE-8190bb11-53
0.397
MAR-TRE-9d18ae8c-92
0.395
MAR-TRE-66ac689e-27
0.395
MAR-TRE-66ac689e-63
0.395
MAR-TRE-c317dd82-36
0.395
MAR-TRE-92684b97-58
0.395
MAR-TRE-66ac689e-25
0.392
MAR-TRE-4f781e27-55
0.390
MAR-TRE-92684b97-90
0.390
MAR-TRE-a9136c7b-87
0.390
MAR-TRE-799db12b-88
0.390
MAR-TRE-4f781e27-72
0.389
MAR-TRE-a9136c7b-75
0.389
MAR-TRE-a9136c7b-84
0.387
MAR-TRE-9d18ae8c-25
0.387
MAR-TRE-66ac689e-39
0.387
MAR-TRE-c317dd82-100
0.387
MAR-TRE-799db12b-6
0.386
MAR-TRE-4f781e27-80
0.385