Molecular Properties | |
SMILES: | COC(=O)Cn1cnc(NC(=O)c2cncnc2)n1 |
MW: | 262.08 |
Fraction sp3: | 0.2 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 111.89 |
cLogP: | -0.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-66ac689e-89
0.594
MAR-TRE-e82e6c98-16
0.425
MAR-TRE-be9ff7d2-36
0.400
MAR-TRE-e82e6c98-80
0.370
MAR-TRE-a9136c7b-10
0.353
MAR-TRE-c317dd82-90
0.350
MAR-TRE-66ac689e-88
0.347
MAR-TRE-be9ff7d2-15
0.346
MAR-TRE-4f781e27-13
0.346
MAR-TRE-e82e6c98-38
0.341
MAR-TRE-799db12b-86
0.337
MAR-TRE-a9136c7b-32
0.337
MAR-TRE-c317dd82-91
0.333
MAR-TRE-e82e6c98-74
0.333
MAR-TRE-799db12b-66
0.333
MAR-TRE-66ac689e-99
0.333
MAR-TRE-8190bb11-82
0.329
MAR-TRE-92684b97-54
0.329
MAR-TRE-e82e6c98-55
0.329
MAR-TRE-e82e6c98-41
0.329
MAR-TRE-e82e6c98-9
0.325
MAR-TRE-be9ff7d2-56
0.324
MAR-TRE-e82e6c98-24
0.322
MAR-TRE-4f781e27-47
0.321
MAR-TRE-e82e6c98-65
0.321
MAR-TRE-66ac689e-95
0.321
MAR-TRE-92684b97-71
0.321
MAR-TRE-be9ff7d2-85
0.318
MAR-TRE-8190bb11-69
0.316
MAR-TRE-e82e6c98-1
0.316
MAR-TRE-799db12b-46
0.316
MAR-TRE-66ac689e-80
0.316
MAR-TRE-9d18ae8c-40
0.316
MAR-TRE-c317dd82-94
0.316
MAR-TRE-c317dd82-13
0.314
MAR-TRE-8190bb11-38
0.313
MAR-TRE-66ac689e-51
0.312
MAR-TRE-be9ff7d2-40
0.312
MAR-TRE-8190bb11-74
0.312
MAR-TRE-e82e6c98-76
0.312
MAR-TRE-8190bb11-4
0.310
MAR-TRE-e82e6c98-46
0.310
MAR-TRE-799db12b-75
0.310
MAR-TRE-4f781e27-58
0.309
MAR-TRE-e82e6c98-71
0.308
MAR-TRE-66ac689e-59
0.308
MAR-TRE-4f781e27-1
0.307
MAR-TRE-e82e6c98-27
0.307
MAR-TRE-9d18ae8c-76
0.307
MAR-TRE-799db12b-90
0.306
MAR-TRE-e82e6c98-97
0.306
MAR-TRE-c317dd82-7
0.306
MAR-TRE-c317dd82-16
0.306
MAR-TRE-c317dd82-59
0.306
MAR-TRE-4f781e27-60
0.306
MAR-TRE-a9136c7b-34
0.305
MAR-TRE-799db12b-80
0.305
MAR-TRE-799db12b-74
0.304
MAR-TRE-8190bb11-51
0.304
MAR-TRE-e82e6c98-7
0.303
MAR-TRE-be9ff7d2-88
0.303
MAR-TRE-e82e6c98-77
0.303
MAR-TRE-4f781e27-67
0.302
MAR-TRE-c317dd82-48
0.301
MAR-TRE-c317dd82-68
0.301
MAR-TRE-92684b97-82
0.301
MAR-TRE-66ac689e-30
0.300
MAR-TRE-92684b97-83
0.300
MAR-TRE-4f781e27-31
0.300
MAR-TRE-c317dd82-52
0.299
MAR-TRE-be9ff7d2-49
0.299
MAR-TRE-e82e6c98-26
0.299
MAR-TRE-66ac689e-57
0.299
MAR-TRE-4f781e27-12
0.299
MAR-TRE-9d18ae8c-71
0.299
MAR-TRE-be9ff7d2-20
0.299
MAR-TRE-a9136c7b-46
0.298
MAR-TRE-66ac689e-31
0.298
MAR-TRE-66ac689e-76
0.298
MAR-TRE-4f781e27-71
0.298
MAR-TRE-4f781e27-16
0.296
MAR-TRE-799db12b-20
0.296
MAR-TRE-799db12b-63
0.296
MAR-TRE-8190bb11-81
0.296
MAR-TRE-9d18ae8c-58
0.296
MAR-TRE-e82e6c98-37
0.295
MAR-TRE-799db12b-98
0.295
MAR-TRE-799db12b-26
0.295
MAR-TRE-be9ff7d2-41
0.295
MAR-TRE-9d18ae8c-85
0.295
MAR-TRE-799db12b-28
0.294
MAR-TRE-66ac689e-24
0.294
MAR-TRE-9d18ae8c-83
0.294
MAR-TRE-be9ff7d2-46
0.294
MAR-TRE-be9ff7d2-55
0.294
MAR-TRE-c317dd82-27
0.293
MAR-TRE-8190bb11-24
0.293
MAR-TRE-8190bb11-85
0.293
MAR-TRE-799db12b-39
0.293
MAR-TRE-e82e6c98-58
0.293