Molecular Properties | |
SMILES: | Cc1n[nH]c(CN2CCC(NC(=O)c3cncnc3)C2=O)n1 |
MW: | 301.13 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 116.76 |
cLogP: | -0.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-14
0.440
MAR-TRE-e82e6c98-21
0.418
MAR-TRE-e82e6c98-33
0.393
MAR-TRE-e82e6c98-65
0.390
MAR-TRE-e82e6c98-96
0.355
MAR-TRE-a9136c7b-89
0.348
MAR-TRE-be9ff7d2-42
0.341
MAR-TRE-be9ff7d2-51
0.341
MAR-TRE-c317dd82-88
0.338
MAR-TRE-92684b97-7
0.337
MAR-TRE-c317dd82-69
0.337
MAR-TRE-be9ff7d2-99
0.337
MAR-TRE-c317dd82-80
0.333
MAR-TRE-9d18ae8c-38
0.333
MAR-TRE-92684b97-20
0.333
MAR-TRE-be9ff7d2-62
0.330
MAR-TRE-e82e6c98-28
0.326
MAR-TRE-be9ff7d2-52
0.323
MAR-TRE-e82e6c98-69
0.323
MAR-TRE-be9ff7d2-8
0.323
MAR-TRE-92684b97-62
0.322
MAR-TRE-799db12b-29
0.322
MAR-TRE-92684b97-39
0.322
MAR-TRE-92684b97-57
0.321
MAR-TRE-c317dd82-44
0.319
MAR-TRE-c317dd82-8
0.318
MAR-TRE-a9136c7b-2
0.316
MAR-TRE-be9ff7d2-82
0.315
MAR-TRE-e82e6c98-78
0.315
MAR-TRE-a9136c7b-64
0.315
MAR-TRE-c317dd82-34
0.315
MAR-TRE-c317dd82-3
0.313
MAR-TRE-4f781e27-18
0.312
MAR-TRE-be9ff7d2-88
0.310
MAR-TRE-8190bb11-9
0.309
MAR-TRE-c317dd82-89
0.309
MAR-TRE-799db12b-89
0.308
MAR-TRE-799db12b-52
0.304
MAR-TRE-9d18ae8c-90
0.304
MAR-TRE-66ac689e-29
0.304
MAR-TRE-66ac689e-26
0.303
MAR-TRE-9d18ae8c-78
0.302
MAR-TRE-be9ff7d2-55
0.301
MAR-TRE-4f781e27-79
0.301
MAR-TRE-be9ff7d2-75
0.299
MAR-TRE-c317dd82-46
0.299
MAR-TRE-9d18ae8c-93
0.299
MAR-TRE-c317dd82-25
0.298
MAR-TRE-a9136c7b-47
0.298
MAR-TRE-e82e6c98-68
0.298
MAR-TRE-c317dd82-49
0.297
MAR-TRE-c317dd82-6
0.297
MAR-TRE-e82e6c98-81
0.295
MAR-TRE-c317dd82-18
0.295
MAR-TRE-be9ff7d2-69
0.295
MAR-TRE-a9136c7b-95
0.295
MAR-TRE-c317dd82-96
0.294
MAR-TRE-66ac689e-21
0.293
MAR-TRE-e82e6c98-93
0.293
MAR-TRE-c317dd82-65
0.293
MAR-TRE-c317dd82-67
0.293
MAR-TRE-a9136c7b-63
0.293
MAR-TRE-e82e6c98-11
0.292
MAR-TRE-92684b97-83
0.292
MAR-TRE-be9ff7d2-95
0.292
MAR-TRE-799db12b-57
0.292
MAR-TRE-92684b97-74
0.291
MAR-TRE-8190bb11-42
0.291
MAR-TRE-be9ff7d2-29
0.290
MAR-TRE-66ac689e-40
0.290
MAR-TRE-799db12b-7
0.290
MAR-TRE-66ac689e-34
0.290
MAR-TRE-e82e6c98-99
0.290
MAR-TRE-c317dd82-71
0.290
MAR-TRE-be9ff7d2-92
0.290
MAR-TRE-e82e6c98-5
0.290
MAR-TRE-9d18ae8c-98
0.290
MAR-TRE-be9ff7d2-22
0.289
MAR-TRE-a9136c7b-86
0.289
MAR-TRE-799db12b-65
0.289
MAR-TRE-be9ff7d2-25
0.287
MAR-TRE-9d18ae8c-15
0.287
MAR-TRE-c317dd82-32
0.287
MAR-TRE-e82e6c98-35
0.286
MAR-TRE-e82e6c98-41
0.286
MAR-TRE-e82e6c98-44
0.286
MAR-TRE-4f781e27-76
0.286
MAR-TRE-c317dd82-77
0.286
MAR-TRE-a9136c7b-96
0.284
MAR-TRE-c317dd82-82
0.284
MAR-TRE-9d18ae8c-88
0.284
MAR-TRE-9d18ae8c-96
0.284
MAR-TRE-8190bb11-75
0.283
MAR-TRE-66ac689e-43
0.283
MAR-TRE-e82e6c98-60
0.283
MAR-TRE-be9ff7d2-65
0.282
MAR-TRE-9d18ae8c-76
0.282
MAR-TRE-9d18ae8c-95
0.282
MAR-TRE-e82e6c98-82
0.281
MAR-TRE-66ac689e-99
0.281