Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1coc2ccccc12 |
MW: | 267.1 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 68.02 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-77
0.586
MAR-TRE-92684b97-5
0.521
MAR-TRE-4f781e27-27
0.500
MAR-TRE-4f781e27-54
0.472
MAR-TRE-8190bb11-5
0.414
MAR-TRE-799db12b-82
0.405
MAR-TRE-8190bb11-25
0.403
MAR-TRE-8190bb11-91
0.400
MAR-TRE-66ac689e-72
0.400
MAR-TRE-799db12b-31
0.397
MAR-TRE-92684b97-68
0.395
MAR-TRE-be9ff7d2-68
0.395
MAR-TRE-9d18ae8c-94
0.392
MAR-TRE-66ac689e-3
0.392
MAR-TRE-c317dd82-48
0.391
MAR-TRE-66ac689e-52
0.390
MAR-TRE-66ac689e-27
0.390
MAR-TRE-9d18ae8c-8
0.390
MAR-TRE-799db12b-73
0.390
MAR-TRE-66ac689e-22
0.390
MAR-TRE-a9136c7b-82
0.388
MAR-TRE-9d18ae8c-17
0.388
MAR-TRE-e82e6c98-88
0.388
MAR-TRE-be9ff7d2-47
0.386
MAR-TRE-66ac689e-66
0.385
MAR-TRE-799db12b-45
0.381
MAR-TRE-92684b97-100
0.380
MAR-TRE-8190bb11-11
0.378
MAR-TRE-9d18ae8c-9
0.378
MAR-TRE-799db12b-32
0.377
MAR-TRE-66ac689e-45
0.375
MAR-TRE-e82e6c98-30
0.375
MAR-TRE-4f781e27-91
0.373
MAR-TRE-799db12b-100
0.372
MAR-TRE-4f781e27-100
0.372
MAR-TRE-92684b97-36
0.370
MAR-TRE-c317dd82-96
0.370
MAR-TRE-92684b97-50
0.370
MAR-TRE-92684b97-27
0.370
MAR-TRE-799db12b-36
0.369
MAR-TRE-a9136c7b-19
0.369
MAR-TRE-4f781e27-40
0.368
MAR-TRE-4f781e27-86
0.368
MAR-TRE-4f781e27-93
0.366
MAR-TRE-92684b97-8
0.365
MAR-TRE-799db12b-49
0.365
MAR-TRE-a9136c7b-67
0.362
MAR-TRE-799db12b-95
0.361
MAR-TRE-a9136c7b-8
0.360
MAR-TRE-92684b97-51
0.360
MAR-TRE-9d18ae8c-64
0.360
MAR-TRE-92684b97-99
0.360
MAR-TRE-be9ff7d2-6
0.359
MAR-TRE-8190bb11-56
0.359
MAR-TRE-4f781e27-59
0.358
MAR-TRE-a9136c7b-13
0.356
MAR-TRE-9d18ae8c-59
0.356
MAR-TRE-799db12b-23
0.355
MAR-TRE-4f781e27-29
0.355
MAR-TRE-92684b97-77
0.355
MAR-TRE-9d18ae8c-99
0.354
MAR-TRE-4f781e27-38
0.354
MAR-TRE-4f781e27-69
0.353
MAR-TRE-799db12b-91
0.351
MAR-TRE-9d18ae8c-67
0.351
MAR-TRE-4f781e27-51
0.350
MAR-TRE-be9ff7d2-64
0.350
MAR-TRE-e82e6c98-91
0.350
MAR-TRE-66ac689e-36
0.349
MAR-TRE-4f781e27-6
0.349
MAR-TRE-66ac689e-57
0.347
MAR-TRE-8190bb11-48
0.347
MAR-TRE-9d18ae8c-97
0.346
MAR-TRE-be9ff7d2-12
0.346
MAR-TRE-c317dd82-42
0.346
MAR-TRE-a9136c7b-93
0.346
MAR-TRE-799db12b-99
0.345
MAR-TRE-8190bb11-47
0.342
MAR-TRE-66ac689e-61
0.341
MAR-TRE-799db12b-85
0.341
MAR-TRE-8190bb11-97
0.338
MAR-TRE-8190bb11-72
0.338
MAR-TRE-be9ff7d2-3
0.338
MAR-TRE-4f781e27-44
0.338
MAR-TRE-92684b97-84
0.337
MAR-TRE-4f781e27-9
0.337
MAR-TRE-be9ff7d2-78
0.337
MAR-TRE-9d18ae8c-62
0.337
MAR-TRE-be9ff7d2-97
0.333
MAR-TRE-8190bb11-71
0.333
MAR-TRE-9d18ae8c-3
0.333
MAR-TRE-9d18ae8c-22
0.333
MAR-TRE-a9136c7b-69
0.333
MAR-TRE-a9136c7b-36
0.333
MAR-TRE-92684b97-56
0.333
MAR-TRE-92684b97-71
0.333
MAR-TRE-92684b97-87
0.333
MAR-TRE-9d18ae8c-41
0.333
MAR-TRE-8190bb11-93
0.333
MAR-TRE-66ac689e-95
0.333