Molecular Properties | |
SMILES: | O=C(NCc1noc(CC2CCCCNC2=O)n1)c1cncnc1 |
MW: | 330.14 |
Fraction sp3: | 0.47 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 122.9 |
cLogP: | 0.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-8
0.563
MAR-TRE-e82e6c98-67
0.353
MAR-TRE-8190bb11-83
0.351
MAR-TRE-c317dd82-49
0.350
MAR-TRE-be9ff7d2-59
0.349
MAR-TRE-799db12b-7
0.347
MAR-TRE-9d18ae8c-84
0.340
MAR-TRE-c317dd82-75
0.340
MAR-TRE-c317dd82-32
0.340
MAR-TRE-be9ff7d2-99
0.337
MAR-TRE-a9136c7b-100
0.330
MAR-TRE-e82e6c98-35
0.330
MAR-TRE-92684b97-78
0.326
MAR-TRE-8190bb11-9
0.324
MAR-TRE-4f781e27-77
0.323
MAR-TRE-66ac689e-29
0.320
MAR-TRE-be9ff7d2-81
0.320
MAR-TRE-66ac689e-26
0.319
MAR-TRE-be9ff7d2-67
0.318
MAR-TRE-9d18ae8c-34
0.317
MAR-TRE-4f781e27-75
0.316
MAR-TRE-799db12b-59
0.316
MAR-TRE-66ac689e-47
0.313
MAR-TRE-9d18ae8c-36
0.313
MAR-TRE-e82e6c98-6
0.313
MAR-TRE-4f781e27-92
0.312
MAR-TRE-e82e6c98-48
0.312
MAR-TRE-9d18ae8c-16
0.311
MAR-TRE-a9136c7b-37
0.311
MAR-TRE-799db12b-89
0.309
MAR-TRE-66ac689e-21
0.309
MAR-TRE-be9ff7d2-17
0.309
MAR-TRE-8190bb11-42
0.308
MAR-TRE-e82e6c98-57
0.308
MAR-TRE-c317dd82-67
0.308
MAR-TRE-799db12b-18
0.308
MAR-TRE-799db12b-69
0.307
MAR-TRE-e82e6c98-5
0.306
MAR-TRE-799db12b-52
0.306
MAR-TRE-8190bb11-81
0.305
MAR-TRE-e82e6c98-12
0.305
MAR-TRE-e82e6c98-23
0.304
MAR-TRE-be9ff7d2-41
0.304
MAR-TRE-c317dd82-50
0.304
MAR-TRE-799db12b-64
0.304
MAR-TRE-799db12b-65
0.304
MAR-TRE-8190bb11-85
0.303
MAR-TRE-66ac689e-74
0.303
MAR-TRE-be9ff7d2-82
0.303
MAR-TRE-be9ff7d2-60
0.303
MAR-TRE-4f781e27-76
0.302
MAR-TRE-be9ff7d2-18
0.302
MAR-TRE-be9ff7d2-1
0.301
MAR-TRE-66ac689e-69
0.301
MAR-TRE-9d18ae8c-65
0.301
MAR-TRE-e82e6c98-68
0.300
MAR-TRE-799db12b-72
0.300
MAR-TRE-4f781e27-83
0.300
MAR-TRE-9d18ae8c-55
0.300
MAR-TRE-e82e6c98-91
0.299
MAR-TRE-e82e6c98-60
0.299
MAR-TRE-66ac689e-20
0.299
MAR-TRE-c317dd82-55
0.298
MAR-TRE-be9ff7d2-90
0.297
MAR-TRE-8190bb11-86
0.296
MAR-TRE-92684b97-100
0.296
MAR-TRE-e82e6c98-61
0.296
MAR-TRE-a9136c7b-54
0.295
MAR-TRE-66ac689e-67
0.293
MAR-TRE-92684b97-37
0.293
MAR-TRE-e82e6c98-95
0.293
MAR-TRE-4f781e27-65
0.293
MAR-TRE-be9ff7d2-54
0.293
MAR-TRE-8190bb11-27
0.292
MAR-TRE-8190bb11-99
0.292
MAR-TRE-e82e6c98-25
0.292
MAR-TRE-799db12b-4
0.292
MAR-TRE-be9ff7d2-74
0.292
MAR-TRE-8190bb11-82
0.292
MAR-TRE-be9ff7d2-34
0.292
MAR-TRE-66ac689e-54
0.291
MAR-TRE-c317dd82-83
0.291
MAR-TRE-4f781e27-99
0.290
MAR-TRE-799db12b-35
0.290
MAR-TRE-92684b97-36
0.290
MAR-TRE-e82e6c98-36
0.290
MAR-TRE-8190bb11-2
0.290
MAR-TRE-8190bb11-24
0.289
MAR-TRE-4f781e27-100
0.289
MAR-TRE-9d18ae8c-66
0.288
MAR-TRE-4f781e27-48
0.287
MAR-TRE-a9136c7b-80
0.287
MAR-TRE-c317dd82-74
0.287
MAR-TRE-be9ff7d2-51
0.287
MAR-TRE-8190bb11-40
0.286
MAR-TRE-a9136c7b-24
0.286
MAR-TRE-be9ff7d2-96
0.284
MAR-TRE-e82e6c98-8
0.283
MAR-TRE-e82e6c98-93
0.283
MAR-TRE-799db12b-16
0.283