Molecular Properties | |
SMILES: | Cn1nc(Br)c2c(NCCNC(=O)c3cncnc3)ncnc21 |
MW: | 376.04 |
Fraction sp3: | 0.23 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 110.51 |
cLogP: | 0.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
α-Halogen substituted N-heterocycles
Filter9_metal
aryl bromide
MAR-TRE-c317dd82-26
0.398
MAR-TRE-e82e6c98-76
0.395
MAR-TRE-e82e6c98-26
0.366
MAR-TRE-66ac689e-59
0.357
MAR-TRE-4f781e27-85
0.354
MAR-TRE-8190bb11-96
0.345
MAR-TRE-4f781e27-16
0.345
MAR-TRE-e82e6c98-47
0.337
MAR-TRE-e82e6c98-22
0.337
MAR-TRE-c317dd82-92
0.333
MAR-TRE-a9136c7b-83
0.330
MAR-TRE-c317dd82-5
0.330
MAR-TRE-799db12b-68
0.326
MAR-TRE-8190bb11-33
0.326
MAR-TRE-be9ff7d2-32
0.326
MAR-TRE-c317dd82-70
0.322
MAR-TRE-c317dd82-55
0.322
MAR-TRE-8190bb11-30
0.319
MAR-TRE-4f781e27-7
0.319
MAR-TRE-c317dd82-52
0.316
MAR-TRE-e82e6c98-64
0.315
MAR-TRE-be9ff7d2-40
0.315
MAR-TRE-e82e6c98-29
0.315
MAR-TRE-799db12b-20
0.315
MAR-TRE-be9ff7d2-41
0.314
MAR-TRE-799db12b-35
0.314
MAR-TRE-e82e6c98-85
0.312
MAR-TRE-4f781e27-58
0.311
MAR-TRE-4f781e27-19
0.310
MAR-TRE-be9ff7d2-1
0.310
MAR-TRE-c317dd82-22
0.310
MAR-TRE-66ac689e-35
0.308
MAR-TRE-c317dd82-6
0.308
MAR-TRE-e82e6c98-75
0.307
MAR-TRE-be9ff7d2-77
0.305
MAR-TRE-66ac689e-91
0.305
MAR-TRE-92684b97-78
0.305
MAR-TRE-4f781e27-81
0.301
MAR-TRE-e82e6c98-50
0.300
MAR-TRE-e82e6c98-37
0.299
MAR-TRE-e82e6c98-10
0.298
MAR-TRE-92684b97-67
0.298
MAR-TRE-8190bb11-85
0.298
MAR-TRE-4f781e27-36
0.297
MAR-TRE-be9ff7d2-67
0.296
MAR-TRE-4f781e27-57
0.295
MAR-TRE-c317dd82-74
0.295
MAR-TRE-c317dd82-84
0.295
MAR-TRE-e82e6c98-91
0.293
MAR-TRE-8190bb11-95
0.293
MAR-TRE-e82e6c98-60
0.293
MAR-TRE-4f781e27-43
0.292
MAR-TRE-be9ff7d2-43
0.292
MAR-TRE-4f781e27-23
0.292
MAR-TRE-be9ff7d2-39
0.292
MAR-TRE-e82e6c98-82
0.292
MAR-TRE-e82e6c98-77
0.291
MAR-TRE-be9ff7d2-14
0.290
MAR-TRE-a9136c7b-23
0.290
MAR-TRE-be9ff7d2-19
0.289
MAR-TRE-9d18ae8c-48
0.289
MAR-TRE-be9ff7d2-17
0.289
MAR-TRE-4f781e27-82
0.289
MAR-TRE-c317dd82-60
0.289
MAR-TRE-c317dd82-20
0.288
MAR-TRE-4f781e27-72
0.287
MAR-TRE-92684b97-74
0.287
MAR-TRE-be9ff7d2-49
0.287
MAR-TRE-8190bb11-46
0.287
MAR-TRE-92684b97-37
0.287
MAR-TRE-be9ff7d2-92
0.287
MAR-TRE-e82e6c98-5
0.287
MAR-TRE-8190bb11-99
0.287
MAR-TRE-8190bb11-82
0.286
MAR-TRE-e82e6c98-12
0.286
MAR-TRE-be9ff7d2-47
0.286
MAR-TRE-be9ff7d2-73
0.286
MAR-TRE-c317dd82-61
0.284
MAR-TRE-be9ff7d2-82
0.284
MAR-TRE-a9136c7b-100
0.284
MAR-TRE-e82e6c98-23
0.284
MAR-TRE-e82e6c98-49
0.283
MAR-TRE-be9ff7d2-18
0.283
MAR-TRE-c317dd82-57
0.283
MAR-TRE-c317dd82-86
0.283
MAR-TRE-8190bb11-24
0.282
MAR-TRE-4f781e27-49
0.282
MAR-TRE-4f781e27-48
0.281
MAR-TRE-e82e6c98-97
0.281
MAR-TRE-66ac689e-47
0.281
MAR-TRE-8190bb11-39
0.281
MAR-TRE-92684b97-75
0.281
MAR-TRE-be9ff7d2-83
0.281
MAR-TRE-8190bb11-64
0.280
MAR-TRE-c317dd82-51
0.280
MAR-TRE-e82e6c98-3
0.280
MAR-TRE-a9136c7b-24
0.280
MAR-TRE-799db12b-44
0.280
MAR-TRE-e82e6c98-68
0.279
MAR-TRE-8190bb11-78
0.278