Molecular Properties | |
SMILES: | COC1(OC)CNCC(C(=O)NC(=O)c2cncnc2)C1 |
MW: | 294.13 |
Fraction sp3: | 0.54 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 102.44 |
cLogP: | -0.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
non_ring_ketal
het-C-het not in ring
phthalimide
glycol
MAR-TRE-8190bb11-79
0.480
MAR-TRE-c317dd82-93
0.453
MAR-TRE-92684b97-79
0.423
MAR-TRE-e82e6c98-94
0.414
MAR-TRE-c317dd82-54
0.408
MAR-TRE-c317dd82-57
0.397
MAR-TRE-92684b97-38
0.395
MAR-TRE-be9ff7d2-74
0.394
MAR-TRE-c317dd82-15
0.383
MAR-TRE-c317dd82-64
0.383
MAR-TRE-c317dd82-61
0.378
MAR-TRE-c317dd82-72
0.378
MAR-TRE-a9136c7b-44
0.378
MAR-TRE-be9ff7d2-87
0.368
MAR-TRE-e82e6c98-59
0.361
MAR-TRE-4f781e27-22
0.354
MAR-TRE-c317dd82-9
0.354
MAR-TRE-66ac689e-96
0.354
MAR-TRE-e82e6c98-17
0.353
MAR-TRE-e82e6c98-73
0.352
MAR-TRE-c317dd82-30
0.345
MAR-TRE-92684b97-61
0.337
MAR-TRE-be9ff7d2-25
0.333
MAR-TRE-be9ff7d2-94
0.329
MAR-TRE-be9ff7d2-72
0.325
MAR-TRE-c317dd82-88
0.320
MAR-TRE-8190bb11-49
0.317
MAR-TRE-e82e6c98-41
0.316
MAR-TRE-e82e6c98-32
0.315
MAR-TRE-66ac689e-38
0.312
MAR-TRE-9d18ae8c-72
0.312
MAR-TRE-be9ff7d2-36
0.312
MAR-TRE-c317dd82-21
0.311
MAR-TRE-e82e6c98-81
0.309
MAR-TRE-e82e6c98-7
0.308
MAR-TRE-4f781e27-21
0.308
MAR-TRE-92684b97-66
0.308
MAR-TRE-9d18ae8c-23
0.307
MAR-TRE-c317dd82-48
0.307
MAR-TRE-c317dd82-19
0.306
MAR-TRE-c317dd82-78
0.304
MAR-TRE-be9ff7d2-38
0.304
MAR-TRE-92684b97-28
0.302
MAR-TRE-c317dd82-2
0.300
MAR-TRE-be9ff7d2-62
0.300
MAR-TRE-e82e6c98-55
0.300
MAR-TRE-c317dd82-17
0.299
MAR-TRE-c317dd82-34
0.298
MAR-TRE-e82e6c98-56
0.298
MAR-TRE-9d18ae8c-96
0.297
MAR-TRE-c317dd82-46
0.296
MAR-TRE-c317dd82-82
0.296
MAR-TRE-e82e6c98-71
0.296
MAR-TRE-be9ff7d2-3
0.296
MAR-TRE-e82e6c98-19
0.296
MAK-UNK-748f8b7a-14
0.296
MAR-TRE-be9ff7d2-71
0.295
MAR-TRE-9d18ae8c-76
0.295
MAR-TRE-be9ff7d2-28
0.294
MAR-TRE-be9ff7d2-56
0.293
MAR-TRE-66ac689e-15
0.293
MAR-TRE-be9ff7d2-44
0.293
MAR-TRE-e82e6c98-65
0.293
MAR-TRE-92684b97-76
0.293
MAR-TRE-92684b97-52
0.291
MAR-TRE-e82e6c98-1
0.289
MAR-TRE-4f781e27-14
0.289
MAR-TRE-92684b97-83
0.289
MAR-TRE-66ac689e-23
0.287
MAR-TRE-66ac689e-86
0.287
MAR-TRE-e82e6c98-72
0.287
MAR-TRE-8190bb11-62
0.287
MAR-TRE-9d18ae8c-71
0.287
MAR-TRE-9d18ae8c-90
0.287
MAR-TRE-a9136c7b-91
0.286
MAR-TRE-66ac689e-60
0.286
MAR-TRE-92684b97-57
0.286
MAR-TRE-e82e6c98-86
0.286
MAR-TRE-be9ff7d2-40
0.286
MAR-TRE-799db12b-98
0.286
MAR-TRE-9d18ae8c-31
0.284
MAR-TRE-9d18ae8c-85
0.284
MAR-TRE-799db12b-41
0.284
MAR-TRE-8190bb11-65
0.284
MAR-TRE-e82e6c98-96
0.283
MAR-TRE-a9136c7b-18
0.283
MAR-TRE-66ac689e-2
0.282
MAR-TRE-e82e6c98-34
0.282
MAR-TRE-66ac689e-75
0.282
MAR-TRE-799db12b-95
0.282
MAR-TRE-c317dd82-98
0.282
MAR-TRE-8190bb11-19
0.281
MAR-TRE-4f781e27-18
0.281
MAR-TRE-9d18ae8c-13
0.281
MAR-TRE-9d18ae8c-32
0.281
MAR-TRE-c317dd82-73
0.280
MAR-TRE-a9136c7b-92
0.280
MAR-TRE-e82e6c98-9
0.280
MAR-TRE-799db12b-70
0.279
MAR-TRE-c317dd82-39
0.279