Molecular Properties | |
SMILES: | O=C(O)Cc1nnc(NC(=O)c2cncnc2)s1 |
MW: | 265.03 |
Fraction sp3: | 0.11 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 117.96 |
cLogP: | 0.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-60
0.529
MAR-TRE-e82e6c98-87
0.419
MAR-TRE-4f781e27-42
0.380
MAR-TRE-be9ff7d2-20
0.371
MAR-TRE-e82e6c98-23
0.366
MAR-TRE-be9ff7d2-45
0.365
MAR-TRE-be9ff7d2-56
0.364
MAR-TRE-be9ff7d2-36
0.362
MAR-TRE-92684b97-78
0.358
MAR-TRE-92684b97-66
0.357
MAR-TRE-c317dd82-21
0.343
MAR-TRE-e82e6c98-68
0.343
MAR-TRE-a9136c7b-73
0.341
MAR-TRE-c317dd82-68
0.338
MAR-TRE-a9136c7b-30
0.337
MAR-TRE-66ac689e-30
0.333
MAR-TRE-4f781e27-12
0.333
MAR-TRE-be9ff7d2-15
0.329
MAR-TRE-66ac689e-51
0.329
MAR-TRE-9d18ae8c-73
0.329
MAR-TRE-4f781e27-49
0.329
MAR-TRE-e82e6c98-70
0.329
MAR-TRE-66ac689e-24
0.325
MAR-TRE-9d18ae8c-59
0.324
MAR-TRE-c317dd82-66
0.321
MAR-TRE-92684b97-55
0.321
MAR-TRE-9d18ae8c-35
0.321
MAR-TRE-e82e6c98-75
0.320
MAR-TRE-799db12b-74
0.320
MAR-TRE-92684b97-56
0.319
MAR-TRE-92684b97-87
0.319
MAR-TRE-a9136c7b-75
0.315
MAR-TRE-e82e6c98-80
0.315
MAR-TRE-e82e6c98-74
0.315
MAR-TRE-4f781e27-72
0.315
MAR-TRE-92684b97-74
0.315
MAR-TRE-66ac689e-7
0.312
MAR-TRE-66ac689e-31
0.312
MAR-TRE-9d18ae8c-58
0.312
MAR-TRE-9d18ae8c-69
0.312
MAR-TRE-e82e6c98-29
0.312
MAR-TRE-66ac689e-88
0.311
MAR-TRE-9d18ae8c-21
0.311
MAR-TRE-4f781e27-50
0.311
MAR-TRE-e82e6c98-41
0.310
MAR-TRE-9d18ae8c-96
0.309
MAR-TRE-8190bb11-94
0.309
MAR-TRE-9d18ae8c-14
0.308
MAR-TRE-799db12b-39
0.308
MAR-TRE-66ac689e-41
0.307
MAR-TRE-be9ff7d2-83
0.307
MAR-TRE-66ac689e-18
0.307
MAR-TRE-e82e6c98-20
0.307
MAR-TRE-e82e6c98-45
0.307
MAR-TRE-c317dd82-56
0.306
MAR-TRE-be9ff7d2-65
0.306
MAR-TRE-9d18ae8c-76
0.306
MAR-TRE-799db12b-43
0.305
MAR-TRE-66ac689e-11
0.305
MAR-TRE-a9136c7b-49
0.304
MAR-TRE-8190bb11-40
0.304
MAR-TRE-8190bb11-55
0.303
MAR-TRE-8190bb11-51
0.303
MAR-TRE-be9ff7d2-90
0.301
MAR-TRE-e82e6c98-7
0.301
MAR-TRE-4f781e27-85
0.301
MAR-TRE-92684b97-52
0.301
MAR-TRE-be9ff7d2-85
0.301
MAR-TRE-a9136c7b-53
0.301
MAR-TRE-9d18ae8c-80
0.300
MAR-TRE-8190bb11-7
0.300
MAR-TRE-c317dd82-90
0.300
MAR-TRE-9d18ae8c-39
0.300
MAR-TRE-c317dd82-91
0.299
MAR-TRE-e82e6c98-16
0.299
MAR-TRE-e82e6c98-11
0.299
MAR-TRE-9d18ae8c-97
0.299
MAR-TRE-8190bb11-69
0.299
MAR-TRE-4f781e27-31
0.299
MAR-TRE-92684b97-86
0.299
MAR-TRE-c317dd82-52
0.298
MAR-TRE-8190bb11-42
0.297
MAR-TRE-8190bb11-44
0.297
MAR-TRE-9d18ae8c-81
0.296
MAR-TRE-66ac689e-40
0.296
MAR-TRE-9d18ae8c-61
0.296
MAR-TRE-c317dd82-1
0.295
MAR-TRE-be9ff7d2-34
0.295
MAR-TRE-799db12b-20
0.295
MAR-TRE-799db12b-38
0.295
MAR-TRE-799db12b-63
0.295
MAR-TRE-8190bb11-49
0.295
MAR-TRE-66ac689e-10
0.294
MAR-TRE-4f781e27-98
0.293
MAR-TRE-92684b97-51
0.293
MAR-TRE-4f781e27-62
0.293
MAR-TRE-92684b97-26
0.293
MAR-TRE-8190bb11-65
0.293
MAR-TRE-9d18ae8c-15
0.293
MAR-TRE-9d18ae8c-89
0.293