Molecular Properties | |
SMILES: | COC(=O)c1sc(NC(=O)c2cncnc2)c(C(=O)OC)c1CN1CCOCC1 |
MW: | 420.11 |
Fraction sp3: | 0.39 |
HBA: | 10 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 119.95 |
cLogP: | 1.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-c317dd82-10
0.686
MAR-TRE-c317dd82-81
0.416
MAR-TRE-c317dd82-69
0.372
MAR-TRE-c317dd82-23
0.364
MAR-TRE-be9ff7d2-16
0.364
MAR-TRE-8190bb11-7
0.359
MAR-TRE-e82e6c98-52
0.359
MAR-TRE-c317dd82-96
0.349
MAR-TRE-a9136c7b-65
0.347
MAR-TRE-4f781e27-67
0.344
MAR-TRE-c317dd82-7
0.333
MAR-TRE-8190bb11-100
0.330
MAR-TRE-a9136c7b-16
0.327
MAR-TRE-c317dd82-13
0.327
MAR-TRE-e82e6c98-34
0.323
MAR-TRE-e82e6c98-71
0.322
MAR-TRE-a9136c7b-38
0.321
MAR-TRE-799db12b-34
0.320
MAR-TRE-c317dd82-18
0.319
MAR-TRE-a9136c7b-11
0.317
MAR-TRE-a9136c7b-17
0.316
MAR-TRE-be9ff7d2-12
0.316
MAR-TRE-e82e6c98-1
0.315
MAR-TRE-c317dd82-45
0.314
MAR-TRE-66ac689e-61
0.312
MAR-TRE-a9136c7b-89
0.312
MAR-TRE-e82e6c98-55
0.311
MAR-TRE-66ac689e-89
0.309
MAR-TRE-e82e6c98-56
0.309
MAR-TRE-e82e6c98-79
0.309
MAR-TRE-c317dd82-73
0.308
MAR-TRE-be9ff7d2-36
0.307
MAR-TRE-4f781e27-60
0.306
MAR-TRE-c317dd82-90
0.302
MAR-TRE-be9ff7d2-35
0.302
MAK-UNK-748f8b7a-11
0.301
MAR-TRE-66ac689e-40
0.299
MAR-TRE-be9ff7d2-29
0.299
MAR-TRE-8190bb11-56
0.298
MAR-TRE-e82e6c98-12
0.298
MAR-TRE-799db12b-98
0.297
MAR-TRE-66ac689e-88
0.297
MAR-TRE-e82e6c98-38
0.296
MAR-TRE-e82e6c98-41
0.295
MAR-TRE-66ac689e-83
0.295
MAR-TRE-e82e6c98-42
0.295
MAR-TRE-a9136c7b-32
0.294
MAR-TRE-be9ff7d2-83
0.293
MAR-TRE-a9136c7b-69
0.293
MAR-TRE-66ac689e-43
0.292
MAR-TRE-be9ff7d2-56
0.291
MAR-TRE-e82e6c98-65
0.290
MAR-TRE-e82e6c98-75
0.290
MAR-TRE-e82e6c98-81
0.290
MAR-TRE-be9ff7d2-72
0.290
MAR-TRE-799db12b-94
0.287
MAR-TRE-66ac689e-80
0.287
MAR-TRE-799db12b-8
0.287
MAR-TRE-66ac689e-34
0.286
MAR-TRE-92684b97-74
0.286
BEN-DND-93268d01-10
0.286
MAR-TRE-e82e6c98-80
0.286
MAR-TRE-66ac689e-7
0.286
MAR-TRE-e82e6c98-32
0.286
MAR-TRE-be9ff7d2-62
0.284
MAR-TRE-799db12b-64
0.284
MAR-TRE-66ac689e-51
0.284
MAR-TRE-9d18ae8c-58
0.284
MAR-TRE-be9ff7d2-15
0.284
MAR-TRE-799db12b-63
0.284
MAR-TRE-e82e6c98-66
0.284
MAR-TRE-be9ff7d2-47
0.284
MAR-TRE-c317dd82-22
0.283
MAR-TRE-c317dd82-14
0.283
MAR-TRE-be9ff7d2-46
0.283
MAR-TRE-8190bb11-4
0.283
MAR-TRE-dab8f6ea-29
0.283
SAD-SAT-7d5528d9-1
0.282
MAR-TRE-a9136c7b-10
0.282
MAR-TRE-c317dd82-11
0.282
MAR-TRE-c317dd82-34
0.281
MAR-TRE-4f781e27-47
0.280
MAR-TRE-66ac689e-18
0.280
MAR-TRE-4f781e27-37
0.278
MAR-TRE-799db12b-80
0.278
MAR-TRE-e82e6c98-27
0.278
MAR-TRE-66ac689e-99
0.277
MAR-TRE-799db12b-40
0.277
MAR-TRE-799db12b-84
0.277
MAR-TRE-8190bb11-55
0.277
MAR-TRE-be9ff7d2-69
0.277
MAR-TRE-799db12b-74
0.277
MAR-TRE-c317dd82-67
0.276
MAR-TRE-799db12b-17
0.276
MAR-TRE-4f781e27-35
0.276
MAR-TRE-be9ff7d2-79
0.276
MAR-TRE-e82e6c98-47
0.275
MAR-TRE-c317dd82-12
0.275
MAR-TRE-c317dd82-85
0.275
MAR-TRE-be9ff7d2-2
0.275