Molecular Properties | |
SMILES: | CC(Sc1nc(CC(=O)O)cs1)C(=O)NC(=O)c1cncnc1 |
MW: | 352.03 |
Fraction sp3: | 0.23 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 122.14 |
cLogP: | 1.0 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
acyclic_imide
MAR-TRE-e82e6c98-23
0.429
MAR-TRE-c317dd82-21
0.392
MAR-TRE-e82e6c98-72
0.346
MAR-TRE-92684b97-66
0.333
MAR-TRE-e82e6c98-11
0.329
MAR-TRE-be9ff7d2-1
0.321
MAR-TRE-e82e6c98-27
0.321
MAR-TRE-8190bb11-40
0.318
MAR-TRE-66ac689e-15
0.318
MAR-TRE-e82e6c98-7
0.317
MAR-TRE-9d18ae8c-71
0.313
MAR-TRE-9d18ae8c-59
0.305
MAR-TRE-e82e6c98-75
0.302
MAR-TRE-92684b97-78
0.300
MAR-TRE-66ac689e-9
0.300
MAR-TRE-be9ff7d2-98
0.299
MAR-TRE-c317dd82-12
0.298
MAR-TRE-92684b97-74
0.298
MAR-TRE-e82e6c98-80
0.298
MAR-TRE-c317dd82-37
0.297
MAR-TRE-be9ff7d2-47
0.296
MAR-TRE-8190bb11-49
0.295
MAR-TRE-e82e6c98-29
0.295
MAR-TRE-9d18ae8c-73
0.294
MAR-TRE-a9136c7b-82
0.293
MAR-TRE-4f781e27-49
0.293
MAR-TRE-c317dd82-57
0.292
MAR-TRE-a9136c7b-18
0.292
MAR-TRE-66ac689e-38
0.291
MAR-TRE-66ac689e-18
0.291
MAR-TRE-4f781e27-42
0.291
MAR-TRE-66ac689e-11
0.290
MAR-TRE-4f781e27-57
0.290
MAR-TRE-c317dd82-25
0.290
MAR-TRE-be9ff7d2-94
0.289
MAR-TRE-e82e6c98-68
0.289
MAR-TRE-be9ff7d2-50
0.289
MAR-TRE-e82e6c98-100
0.287
MAR-TRE-799db12b-74
0.287
MAR-TRE-a9136c7b-50
0.286
MAR-TRE-799db12b-16
0.286
MAR-TRE-92684b97-56
0.286
MAR-TRE-c317dd82-54
0.284
MAR-TRE-c317dd82-68
0.284
MAR-TRE-c317dd82-48
0.284
MAR-TRE-be9ff7d2-11
0.282
MAR-TRE-a9136c7b-73
0.281
MAR-TRE-be9ff7d2-6
0.281
MAR-TRE-be9ff7d2-15
0.281
MAR-TRE-be9ff7d2-34
0.281
MAR-TRE-be9ff7d2-45
0.281
MAR-TRE-be9ff7d2-66
0.281
MAR-TRE-e82e6c98-12
0.281
MAR-TRE-be9ff7d2-74
0.280
MAR-TRE-be9ff7d2-25
0.279
MAR-TRE-9d18ae8c-21
0.279
MAR-TRE-799db12b-50
0.278
MAR-TRE-e82e6c98-70
0.277
MAR-TRE-4f781e27-20
0.277
MAR-TRE-4f781e27-83
0.277
MAR-TRE-c317dd82-16
0.277
MAR-TRE-c317dd82-74
0.277
MAR-TRE-799db12b-56
0.277
MAR-TRE-e82e6c98-19
0.276
MAR-TRE-66ac689e-59
0.276
MAR-TRE-e82e6c98-9
0.276
MAR-TRE-4f781e27-29
0.276
MAR-TRE-e82e6c98-71
0.276
MAR-TRE-92684b97-77
0.276
MAR-TRE-8190bb11-97
0.276
MAR-TRE-9d18ae8c-96
0.275
MAR-TRE-66ac689e-97
0.275
MAR-TRE-c317dd82-39
0.275
MAR-TRE-9d18ae8c-95
0.274
MAR-TRE-9d18ae8c-76
0.274
MAR-TRE-e82e6c98-30
0.274
MAR-TRE-be9ff7d2-65
0.274
MAR-TRE-8190bb11-5
0.274
MAR-TRE-be9ff7d2-99
0.274
MAR-TRE-be9ff7d2-43
0.273
MAR-TRE-9d18ae8c-42
0.273
MAR-TRE-92684b97-38
0.273
MAR-TRE-be9ff7d2-44
0.273
MAR-TRE-9d18ae8c-80
0.272
MAR-TRE-c317dd82-19
0.272
MAR-TRE-c317dd82-95
0.271
MAR-TRE-be9ff7d2-91
0.271
MAR-TRE-e82e6c98-77
0.271
MAR-TRE-92684b97-87
0.271
MAR-TRE-92684b97-52
0.271
MAR-TRE-c317dd82-91
0.270
MAR-TRE-e82e6c98-16
0.270
MAR-TRE-66ac689e-30
0.270
MAR-TRE-4f781e27-22
0.270
MAR-TRE-9d18ae8c-97
0.270
MAR-TRE-799db12b-55
0.270
MAR-TRE-66ac689e-28
0.270
MAR-TRE-92684b97-86
0.270
MAR-TRE-e82e6c98-87
0.269
MAR-TRE-a9136c7b-59
0.269