Molecular Properties | |
SMILES: | O=C(NC1CCCN(S(=O)(=O)C2CC2)C1)c1cncnc1 |
MW: | 310.11 |
Fraction sp3: | 0.62 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 92.26 |
cLogP: | 0.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-be9ff7d2-42
0.721
MAR-TRE-c317dd82-44
0.461
MAR-TRE-c317dd82-88
0.441
MAR-TRE-a9136c7b-64
0.436
MAR-TRE-c317dd82-89
0.407
MAR-TRE-be9ff7d2-8
0.407
MAR-TRE-9d18ae8c-93
0.405
MAR-TRE-e82e6c98-65
0.400
MAR-TRE-9d18ae8c-78
0.392
MAR-TRE-e82e6c98-69
0.388
MAR-TRE-c317dd82-80
0.388
MAR-TRE-c317dd82-14
0.383
MAR-TRE-c317dd82-3
0.375
MAR-TRE-c317dd82-69
0.373
MAR-TRE-c317dd82-8
0.373
MAR-TRE-a9136c7b-89
0.370
MAR-TRE-be9ff7d2-88
0.365
MAR-TRE-92684b97-57
0.361
MAR-TRE-c317dd82-46
0.351
MAR-TRE-c317dd82-18
0.346
MAR-TRE-e82e6c98-28
0.346
MAR-TRE-c317dd82-98
0.338
MAR-TRE-92684b97-40
0.338
MAR-TRE-4f781e27-90
0.338
MAR-TRE-92684b97-20
0.338
MAR-TRE-e82e6c98-99
0.337
MAR-TRE-c317dd82-73
0.333
MAR-TRE-e82e6c98-78
0.333
MAR-TRE-8190bb11-33
0.333
MAR-TRE-e82e6c98-86
0.333
MAR-TRE-e82e6c98-96
0.330
MAR-TRE-799db12b-92
0.330
MAR-TRE-66ac689e-47
0.329
MAR-TRE-a9136c7b-96
0.329
MAR-TRE-c317dd82-87
0.329
MAR-TRE-be9ff7d2-69
0.329
MAR-TRE-e82e6c98-81
0.329
MAR-TRE-4f781e27-7
0.325
MAR-TRE-9d18ae8c-75
0.325
MAR-TRE-92684b97-62
0.325
MAR-TRE-9d18ae8c-56
0.325
MAR-TRE-92684b97-7
0.325
MAR-TRE-92684b97-39
0.325
MAR-TRE-be9ff7d2-53
0.322
MAR-TRE-be9ff7d2-95
0.322
MAR-TRE-e82e6c98-33
0.322
MAR-TRE-9d18ae8c-38
0.321
MAR-TRE-9d18ae8c-90
0.321
MAR-TRE-e82e6c98-21
0.319
MAR-TRE-799db12b-65
0.318
MAR-TRE-66ac689e-60
0.318
MAR-TRE-a9136c7b-44
0.318
MAR-TRE-c317dd82-82
0.316
MAR-TRE-9d18ae8c-76
0.316
MAR-TRE-e82e6c98-24
0.315
MAR-TRE-e82e6c98-53
0.314
MAR-TRE-66ac689e-43
0.313
MAR-TRE-4f781e27-37
0.313
MAR-TRE-4f781e27-64
0.312
MAR-TRE-c317dd82-96
0.312
MAR-TRE-4f781e27-41
0.312
MAR-TRE-8190bb11-100
0.310
MAR-TRE-4f781e27-77
0.310
MAR-TRE-66ac689e-78
0.310
MAR-TRE-be9ff7d2-19
0.309
MAR-TRE-c317dd82-65
0.308
MAR-TRE-e82e6c98-26
0.308
MAR-TRE-be9ff7d2-38
0.308
MAR-TRE-4f781e27-72
0.308
MAR-TRE-799db12b-57
0.307
MAR-TRE-c317dd82-5
0.307
MAR-TRE-e82e6c98-90
0.306
MAR-TRE-4f781e27-65
0.306
MAR-TRE-be9ff7d2-54
0.306
MAR-TRE-799db12b-52
0.306
MAR-TRE-be9ff7d2-22
0.305
MAR-TRE-e82e6c98-25
0.304
MAR-TRE-be9ff7d2-58
0.304
MAR-TRE-9d18ae8c-73
0.304
MAR-TRE-c317dd82-2
0.303
MAR-TRE-be9ff7d2-62
0.303
MAR-TRE-e82e6c98-63
0.303
MAR-TRE-c317dd82-30
0.302
MAR-TRE-4f781e27-38
0.302
MAR-TRE-4f781e27-89
0.302
MAR-TRE-c317dd82-77
0.301
MAR-TRE-e82e6c98-44
0.301
MAR-TRE-9d18ae8c-57
0.301
MAR-TRE-4f781e27-17
0.300
MAR-TRE-be9ff7d2-75
0.300
MAR-TRE-a9136c7b-43
0.300
MAR-TRE-be9ff7d2-23
0.300
MAR-TRE-8190bb11-53
0.300
MAR-TRE-9d18ae8c-13
0.299
MAR-TRE-799db12b-34
0.299
MAR-TRE-799db12b-83
0.299
MAR-TRE-9d18ae8c-36
0.299
MAR-TRE-a9136c7b-65
0.299
MAR-TRE-4f781e27-18
0.299
MAR-TRE-66ac689e-66
0.298