Molecular Properties | |
SMILES: | O=C(O)CC1SC(NC(=O)c2cncnc2)=NC1=O |
MW: | 280.03 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 121.61 |
cLogP: | -0.32 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-27
0.371
MAR-TRE-be9ff7d2-69
0.365
MAR-TRE-8190bb11-65
0.356
MAR-TRE-e82e6c98-7
0.329
MAR-TRE-4f781e27-31
0.325
MAR-TRE-66ac689e-31
0.321
MAR-TRE-66ac689e-51
0.321
MAR-TRE-9d18ae8c-58
0.321
MAR-TRE-9d18ae8c-15
0.320
MAR-TRE-e82e6c98-70
0.319
MAR-TRE-9d18ae8c-29
0.316
MAR-TRE-e82e6c98-79
0.316
MAR-TRE-be9ff7d2-36
0.315
MAR-TRE-9d18ae8c-59
0.315
MAR-TRE-c317dd82-21
0.314
MAR-TRE-be9ff7d2-56
0.314
MAR-TRE-c317dd82-16
0.313
MAR-TRE-799db12b-74
0.312
MAR-TRE-8190bb11-51
0.312
MAR-TRE-92684b97-56
0.311
MAR-TRE-92684b97-78
0.310
MAR-TRE-c317dd82-68
0.310
MAR-TRE-be9ff7d2-85
0.310
MAR-TRE-c317dd82-90
0.309
MAR-TRE-92684b97-39
0.308
MAR-TRE-e82e6c98-80
0.307
MAR-TRE-66ac689e-70
0.307
MAR-TRE-4f781e27-12
0.307
MAR-TRE-92684b97-57
0.306
MAR-TRE-be9ff7d2-47
0.306
MAR-TRE-e82e6c98-87
0.305
MAR-TRE-4f781e27-13
0.305
MAR-TRE-be9ff7d2-15
0.304
MAR-TRE-be9ff7d2-68
0.304
MAR-TRE-be9ff7d2-84
0.304
MAR-TRE-799db12b-63
0.304
MAR-TRE-be9ff7d2-58
0.303
MAR-TRE-be9ff7d2-25
0.303
MAR-TRE-be9ff7d2-41
0.303
MAR-TRE-e82e6c98-23
0.303
MAR-TRE-a9136c7b-66
0.303
MAR-TRE-66ac689e-88
0.303
MAR-TRE-92684b97-51
0.303
MAR-TRE-8190bb11-11
0.303
MAR-TRE-9d18ae8c-21
0.303
MAR-TRE-e82e6c98-41
0.301
MAR-TRE-4f781e27-49
0.301
MAR-TRE-be9ff7d2-46
0.301
MAR-TRE-66ac689e-24
0.301
MAR-TRE-be9ff7d2-93
0.300
MAR-TRE-a9136c7b-55
0.300
MAR-TRE-66ac689e-2
0.300
MAR-TRE-9d18ae8c-2
0.300
MAR-TRE-a9136c7b-32
0.299
MAR-TRE-be9ff7d2-83
0.299
MAR-TRE-66ac689e-18
0.299
MAR-TRE-66ac689e-41
0.299
MAR-TRE-4f781e27-24
0.299
MAR-TRE-4f781e27-42
0.299
MAR-TRE-9d18ae8c-88
0.299
MAR-TRE-8190bb11-90
0.298
MAR-TRE-9d18ae8c-76
0.297
MAR-TRE-e82e6c98-30
0.297
MAR-TRE-e82e6c98-68
0.297
MAR-TRE-9d18ae8c-95
0.297
MAR-TRE-92684b97-55
0.296
MAR-TRE-be9ff7d2-50
0.296
MAR-TRE-66ac689e-8
0.296
MAR-TRE-c317dd82-41
0.296
MAR-TRE-e82e6c98-22
0.295
MAR-TRE-be9ff7d2-44
0.295
MAR-TRE-e82e6c98-100
0.295
MAR-TRE-e82e6c98-48
0.295
MAR-TRE-92684b97-52
0.293
MAR-TRE-92684b97-87
0.293
MAR-TRE-8190bb11-71
0.293
MAR-TRE-92684b97-66
0.293
MAR-TRE-e82e6c98-52
0.293
MAR-TRE-66ac689e-92
0.293
MAR-TRE-92684b97-62
0.293
MAR-TRE-c317dd82-48
0.292
MAR-TRE-92684b97-7
0.291
MAR-TRE-c317dd82-91
0.291
MAR-TRE-92684b97-86
0.291
MAR-TRE-9d18ae8c-97
0.291
MAR-TRE-e82e6c98-11
0.291
MAR-TRE-a9136c7b-33
0.291
MAR-TRE-66ac689e-30
0.291
MAR-TRE-8190bb11-69
0.291
MAR-TRE-c317dd82-52
0.291
MAR-TRE-e82e6c98-74
0.289
MAR-TRE-8190bb11-59
0.289
MAR-TRE-e82e6c98-26
0.289
MAR-TRE-66ac689e-23
0.289
MAR-TRE-66ac689e-86
0.289
MAR-TRE-4f781e27-39
0.289
MAR-TRE-8190bb11-48
0.289
MAR-TRE-4f781e27-72
0.289
MAR-TRE-92684b97-74
0.289
MAR-TRE-a9136c7b-42
0.289