Molecular Properties | |
SMILES: | CNc1nccc(N2CC(NC(=O)c3cncnc3)C(OC)C2)n1 |
MW: | 329.16 |
Fraction sp3: | 0.4 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 105.16 |
cLogP: | -0.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-24
0.398
MAR-TRE-92684b97-57
0.370
MAR-TRE-be9ff7d2-22
0.364
MAR-TRE-c317dd82-18
0.356
MAR-TRE-e82e6c98-81
0.356
MAR-TRE-a9136c7b-47
0.355
MAR-TRE-8190bb11-41
0.348
MAR-TRE-c317dd82-80
0.348
MAR-TRE-c317dd82-44
0.348
MAR-TRE-e82e6c98-44
0.344
MAR-TRE-a9136c7b-86
0.344
MAR-TRE-e82e6c98-28
0.341
MAR-TRE-a9136c7b-96
0.340
MAR-TRE-a9136c7b-95
0.337
MAR-TRE-be9ff7d2-52
0.337
MAR-TRE-92684b97-28
0.333
MAR-TRE-a9136c7b-2
0.330
MAR-TRE-c317dd82-77
0.330
MAR-TRE-799db12b-92
0.327
MAR-TRE-be9ff7d2-75
0.327
MAR-TRE-be9ff7d2-69
0.326
MAR-TRE-be9ff7d2-42
0.326
MAR-TRE-be9ff7d2-72
0.326
MAR-TRE-92684b97-62
0.323
MAR-TRE-be9ff7d2-30
0.323
MAR-TRE-92684b97-39
0.322
MAR-TRE-a9136c7b-63
0.320
MAR-TRE-799db12b-57
0.320
MAR-TRE-e82e6c98-86
0.316
MAR-TRE-9d18ae8c-93
0.315
MAR-TRE-e82e6c98-96
0.313
MAR-TRE-e82e6c98-65
0.311
MAR-TRE-e82e6c98-8
0.309
MAR-TRE-799db12b-29
0.308
MAR-TRE-92684b97-7
0.308
MAR-TRE-799db12b-71
0.306
MAR-TRE-92684b97-70
0.306
MAR-TRE-c317dd82-8
0.303
MAR-TRE-e82e6c98-41
0.302
MAR-TRE-c317dd82-14
0.302
MAR-TRE-c317dd82-3
0.301
MAR-TRE-c317dd82-11
0.300
MAR-TRE-c317dd82-46
0.300
MAR-TRE-4f781e27-18
0.299
MAR-TRE-c317dd82-33
0.299
MAR-TRE-c317dd82-69
0.296
MAR-TRE-c317dd82-89
0.296
MAR-TRE-be9ff7d2-53
0.293
MAR-TRE-be9ff7d2-95
0.293
MAR-TRE-be9ff7d2-38
0.292
MAR-TRE-a9136c7b-89
0.292
MAR-TRE-9d18ae8c-90
0.292
MAR-TRE-92684b97-73
0.292
MAR-TRE-c317dd82-88
0.291
MAR-TRE-be9ff7d2-74
0.291
MAR-TRE-be9ff7d2-15
0.290
MAR-TRE-9d18ae8c-78
0.289
MAR-TRE-be9ff7d2-58
0.289
MAR-TRE-e82e6c98-55
0.289
MAR-TRE-799db12b-28
0.289
MAR-TRE-66ac689e-89
0.289
MAR-TRE-c317dd82-34
0.287
MAR-TRE-be9ff7d2-83
0.286
MAR-TRE-9d18ae8c-13
0.286
MAR-TRE-e82e6c98-53
0.286
MAR-TRE-8190bb11-93
0.286
MAR-TRE-e82e6c98-69
0.284
MAR-TRE-66ac689e-43
0.284
MAR-TRE-92684b97-14
0.284
MAR-TRE-e82e6c98-30
0.284
MAR-TRE-e82e6c98-22
0.283
MAR-TRE-a9136c7b-6
0.282
MAR-TRE-9d18ae8c-68
0.281
MAR-TRE-92684b97-52
0.281
MAR-TRE-c317dd82-60
0.280
MAR-TRE-e82e6c98-1
0.280
MAR-TRE-c317dd82-68
0.279
MAR-TRE-e82e6c98-25
0.279
MAR-TRE-e82e6c98-99
0.278
MAR-TRE-8190bb11-46
0.278
MAR-TRE-9d18ae8c-38
0.278
MAR-TRE-66ac689e-23
0.278
MAR-TRE-e82e6c98-72
0.278
MAR-TRE-c317dd82-83
0.277
MAR-TRE-8190bb11-56
0.277
MAR-TRE-92684b97-20
0.277
MAR-TRE-8190bb11-2
0.276
MAR-TRE-be9ff7d2-47
0.276
MAR-TRE-4f781e27-79
0.276
MAR-TRE-a9136c7b-64
0.276
MAR-TRE-c317dd82-61
0.276
MAR-TRE-799db12b-50
0.274
MAR-TRE-66ac689e-48
0.274
MAR-TRE-e82e6c98-34
0.274
MAR-TRE-be9ff7d2-86
0.274
MAR-TRE-e82e6c98-56
0.274
MAR-TRE-66ac689e-18
0.272
MAR-TRE-4f781e27-33
0.272
MAR-TRE-e82e6c98-83
0.272
MAR-TRE-e82e6c98-9
0.272