Molecular Properties | |
SMILES: | O=C(Nc1cncc(-c2cnc3[nH]ccc3c2)c1)c1cncnc1 |
MW: | 316.11 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 96.45 |
cLogP: | 2.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-16
0.333
MAR-TRE-66ac689e-88
0.325
MAR-TRE-8190bb11-65
0.325
MAR-TRE-4f781e27-12
0.313
MAR-TRE-9d18ae8c-58
0.310
MAR-TRE-66ac689e-51
0.310
MAR-TRE-9d18ae8c-15
0.310
MAR-TRE-66ac689e-8
0.303
MAR-TRE-92684b97-55
0.303
MAR-TRE-8190bb11-69
0.299
MAR-TRE-4f781e27-31
0.299
MAR-TRE-e82e6c98-74
0.298
MAR-TRE-66ac689e-31
0.297
MAR-TRE-66ac689e-76
0.297
MAR-TRE-66ac689e-10
0.295
MAR-TRE-8190bb11-4
0.293
MAR-TRE-e82e6c98-38
0.293
MAR-TRE-66ac689e-25
0.293
MAR-TRE-799db12b-39
0.292
MAR-TRE-66ac689e-2
0.292
MAR-TRE-9d18ae8c-2
0.292
MAR-TRE-9d18ae8c-29
0.292
MAR-TRE-c317dd82-56
0.292
MAR-TRE-4f781e27-1
0.292
MAR-TRE-9d18ae8c-12
0.292
MAR-TRE-799db12b-43
0.290
MAR-TRE-4f781e27-47
0.290
MAR-TRE-799db12b-93
0.290
MAR-TRE-c317dd82-59
0.290
MAR-TRE-799db12b-74
0.287
MAR-TRE-8190bb11-51
0.287
MAR-TRE-799db12b-40
0.287
MAR-TRE-c317dd82-90
0.286
MAR-TRE-799db12b-17
0.286
MAR-TRE-8190bb11-7
0.286
MAR-TRE-a9136c7b-94
0.284
MAR-TRE-799db12b-37
0.284
MAR-TRE-66ac689e-30
0.284
MAR-TRE-c317dd82-91
0.284
MAR-TRE-c317dd82-23
0.283
MAR-TRE-a9136c7b-42
0.283
MAR-TRE-e82e6c98-80
0.282
MAR-TRE-799db12b-26
0.281
MAR-TRE-e82e6c98-50
0.281
NAU-LAT-356bd3c2-2
0.281
MAR-TRE-799db12b-2
0.280
MAR-TRE-66ac689e-89
0.280
MAR-TRE-a9136c7b-9
0.278
MAR-TRE-9d18ae8c-14
0.278
MAR-TRE-4f781e27-49
0.277
MAR-TRE-a9136c7b-57
0.277
MAR-TRE-799db12b-34
0.277
MAR-TRE-799db12b-86
0.277
MAR-TRE-be9ff7d2-23
0.276
MAR-TRE-9d18ae8c-53
0.275
MAR-TRE-92684b97-25
0.274
MAR-TRE-799db12b-25
0.274
MAR-TRE-66ac689e-99
0.274
MAR-TRE-be9ff7d2-56
0.272
MAR-TRE-9d18ae8c-11
0.271
MAR-TRE-9d18ae8c-77
0.271
MAR-TRE-92684b97-27
0.271
MAR-TRE-66ac689e-42
0.270
MAR-TRE-4f781e27-98
0.269
MAR-TRE-9d18ae8c-39
0.268
MAR-TRE-be9ff7d2-20
0.267
MAR-TRE-be9ff7d2-49
0.267
MAR-TRE-be9ff7d2-15
0.267
MAR-TRE-799db12b-20
0.267
MAR-TRE-799db12b-63
0.267
MAR-TRE-66ac689e-81
0.267
MAR-TRE-9d18ae8c-69
0.267
MAR-TRE-799db12b-3
0.266
MAR-TRE-66ac689e-24
0.266
MAR-TRE-66ac689e-74
0.266
MAR-TRE-799db12b-60
0.266
MAR-TRE-be9ff7d2-46
0.266
MAR-TRE-9d18ae8c-18
0.266
MAR-TRE-9d18ae8c-83
0.266
MAR-TRE-9d18ae8c-10
0.265
MAR-TRE-9d18ae8c-61
0.265
MAR-TRE-e82e6c98-39
0.264
MAR-TRE-c317dd82-63
0.264
MAR-TRE-92684b97-26
0.264
MAR-TRE-be9ff7d2-58
0.264
MAR-TRE-a9136c7b-53
0.264
MAR-TRE-66ac689e-37
0.264
MAR-TRE-a9136c7b-55
0.264
MAR-TRE-c317dd82-77
0.264
MAR-TRE-8190bb11-68
0.263
MAR-TRE-a9136c7b-12
0.263
MAR-TRE-4f781e27-60
0.263
MAR-TRE-4f781e27-83
0.263
MAR-TRE-4f781e27-2
0.263
MAR-TRE-be9ff7d2-37
0.263
MAR-TRE-a9136c7b-16
0.262
MAR-TRE-c317dd82-45
0.262
MAR-TRE-4f781e27-19
0.261
MAR-TRE-be9ff7d2-83
0.261
MAR-TRE-a9136c7b-34
0.261