Molecular Properties | |
SMILES: | O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cncnc1 |
MW: | 368.06 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 101.49 |
cLogP: | 0.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
SAD-SAT-2ceae68f-9
0.620
MAR-TRE-a9136c7b-54
0.562
MAK-UNK-009ebe36-4
0.561
MAR-TRE-a9136c7b-24
0.539
MAR-TRE-799db12b-64
0.531
MAK-UNK-69bf97dd-3
0.524
MAR-TRE-2fd8122f-94
0.448
MAK-UNK-009ebe36-5
0.438
MAR-TRE-799db12b-38
0.438
MAR-TRE-4f781e27-67
0.435
MAR-TRE-c317dd82-81
0.434
MAR-TRE-c317dd82-22
0.433
MAR-TRE-799db12b-34
0.424
MAR-TRE-a9136c7b-65
0.424
MAR-TRE-8190bb11-100
0.419
MAR-TRE-be9ff7d2-60
0.412
MAR-TRE-66ac689e-47
0.407
MAR-TRE-a9136c7b-16
0.394
MAR-TRE-e82e6c98-68
0.385
MAR-TRE-a9136c7b-11
0.383
MAR-TRE-66ac689e-12
0.373
MAR-TRE-8190bb11-24
0.372
MAR-TRE-fd17a9b8-62
0.371
MAR-TRE-4f781e27-99
0.370
MAR-TRE-a9136c7b-38
0.370
MAR-TRE-799db12b-7
0.368
MAR-TRE-4f781e27-42
0.366
MAR-TRE-c317dd82-67
0.366
MAR-TRE-2fd8122f-31
0.363
MAR-TRE-8190bb11-13
0.362
MAR-TRE-be9ff7d2-90
0.362
MAR-TRE-8190bb11-42
0.358
MAR-TRE-92684b97-74
0.358
MAR-TRE-8190bb11-7
0.356
MAR-TRE-9d18ae8c-89
0.354
MAR-TRE-799db12b-35
0.354
MAR-TRE-66ac689e-26
0.353
MAR-TRE-4f781e27-88
0.352
NIM-UNI-310206f0-67
0.352
MAR-TRE-e82e6c98-64
0.352
MAR-TRE-4f781e27-65
0.352
MAR-TRE-be9ff7d2-54
0.352
MAR-TRE-799db12b-9
0.351
MAR-TRE-8190bb11-50
0.349
MAR-TRE-c317dd82-86
0.349
MAR-TRE-66ac689e-73
0.349
MAR-TRE-66ac689e-54
0.348
MAR-TRE-92684b97-78
0.346
MAR-TRE-c317dd82-96
0.346
MAR-TRE-92684b97-11
0.345
MAR-TRE-be9ff7d2-16
0.345
MAR-TRE-c317dd82-18
0.345
MAR-TRE-799db12b-72
0.344
MAR-TRE-9d18ae8c-36
0.344
MAR-TRE-4f781e27-48
0.344
MAR-TRE-e82e6c98-6
0.344
MAR-TRE-c317dd82-11
0.344
MAR-TRE-be9ff7d2-17
0.341
MAR-TRE-e82e6c98-16
0.341
MAR-TRE-e82e6c98-8
0.341
MAR-TRE-e82e6c98-93
0.341
MAR-TRE-799db12b-89
0.341
MAR-TRE-66ac689e-21
0.341
MAR-TRE-be9ff7d2-67
0.338
MAR-TRE-8190bb11-85
0.338
MAR-TRE-8190bb11-82
0.337
MAR-TRE-e82e6c98-12
0.337
MAR-TRE-be9ff7d2-81
0.337
MAR-TRE-799db12b-52
0.337
MAR-TRE-c317dd82-37
0.337
MAR-TRE-be9ff7d2-92
0.337
MAR-TRE-66ac689e-29
0.337
MAR-TRE-66ac689e-61
0.337
MAR-TRE-c317dd82-83
0.333
MAR-TRE-799db12b-65
0.333
MAR-TRE-be9ff7d2-1
0.333
MAR-TRE-c317dd82-73
0.333
MAR-TRE-8190bb11-34
0.333
MAR-TRE-c317dd82-40
0.333
MAR-TRE-a9136c7b-7
0.330
MAR-TRE-4f781e27-53
0.330
MAR-TRE-c317dd82-25
0.330
MAR-TRE-c317dd82-7
0.330
MAR-TRE-e82e6c98-91
0.330
MAR-TRE-66ac689e-20
0.330
MAK-UNK-009ebe36-1
0.327
MAR-TRE-a9136c7b-37
0.326
MAR-TRE-8190bb11-83
0.326
MAR-TRE-be9ff7d2-99
0.326
MAR-TRE-8190bb11-73
0.326
MAR-TRE-e82e6c98-52
0.326
MAR-TRE-e82e6c98-57
0.325
MAR-TRE-be9ff7d2-11
0.325
MAR-TRE-c317dd82-31
0.323
MAR-TRE-c317dd82-5
0.323
MAR-TRE-c317dd82-12
0.323
MAR-TRE-be9ff7d2-91
0.323
MAR-TRE-799db12b-11
0.323
MAR-TRE-799db12b-69
0.323
MAR-TRE-c317dd82-13
0.323