Molecular Properties | |
SMILES: | O=C(O)C(Nc1cncnc1)c1ccc(O)cc1 |
MW: | 245.08 |
Fraction sp3: | 0.08 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 95.34 |
cLogP: | 1.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-85681e92-70
0.518
MAR-TRE-85681e92-51
0.450
MAR-TRE-85681e92-57
0.442
MAR-TRE-85681e92-73
0.426
MAR-TRE-85681e92-92
0.423
MAR-TRE-85681e92-34
0.413
MAR-TRE-85681e92-88
0.411
MAR-TRE-85681e92-49
0.407
MAR-TRE-85681e92-74
0.387
MAR-TRE-85681e92-46
0.385
MAR-TRE-85681e92-91
0.381
MAR-TRE-85681e92-29
0.369
MAR-TRE-85681e92-40
0.368
MAR-TRE-85681e92-78
0.368
MAR-TRE-85681e92-42
0.368
MAR-TRE-85681e92-45
0.365
MAR-TRE-85681e92-83
0.360
MAR-TRE-c317dd82-41
0.355
MAR-TRE-8190bb11-71
0.348
MAR-TRE-9d18ae8c-28
0.324
MAR-TRE-85681e92-71
0.323
MAR-TRE-799db12b-79
0.319
MAR-TRE-92684b97-80
0.319
BEN-DND-03406596-4
0.317
BEN-DND-93268d01-1
0.317
BEN-DND-03406596-11
0.317
BEN-DND-03406596-12
0.317
MAR-TRE-799db12b-61
0.314
MAR-TRE-8190bb11-54
0.314
MAR-TRE-799db12b-96
0.314
MAR-TRE-85681e92-60
0.308
MAR-TRE-85681e92-64
0.308
MAR-TRE-85681e92-38
0.308
MAR-TRE-85681e92-56
0.306
MAR-TRE-66ac689e-93
0.306
MAR-TRE-8190bb11-28
0.304
MAR-TRE-8190bb11-59
0.304
MAR-TRE-92684b97-17
0.304
MAR-TRE-92684b97-35
0.304
MAR-TRE-8190bb11-14
0.303
MAR-TRE-8190bb11-10
0.301
MAR-TRE-85681e92-20
0.300
MAR-TRE-9d18ae8c-85
0.300
MAR-TRE-66ac689e-75
0.299
MAR-TRE-799db12b-95
0.299
MAR-TRE-8190bb11-91
0.299
MAR-TRE-66ac689e-84
0.297
MAR-TRE-be9ff7d2-86
0.297
MAR-TRE-9d18ae8c-8
0.297
MAR-TRE-799db12b-23
0.296
MAR-TRE-85681e92-37
0.294
MAR-TRE-e82e6c98-30
0.294
MAR-TRE-85681e92-85
0.292
MAR-TRE-92684b97-50
0.290
MAR-TRE-92684b97-27
0.290
MAR-TRE-799db12b-55
0.288
MAR-TRE-4f781e27-39
0.286
MAR-TRE-8190bb11-26
0.286
MAR-TRE-8190bb11-48
0.286
MAR-TRE-87acfbcc-50
0.284
MAR-TRE-a9136c7b-66
0.282
MAR-TRE-9d18ae8c-64
0.282
MAR-TRE-85681e92-93
0.281
MAR-TRE-66ac689e-71
0.280
MAR-TRE-85681e92-61
0.279
MAR-TRE-9d18ae8c-88
0.278
MAR-TRE-66ac689e-18
0.278
MAR-TRE-66ac689e-41
0.278
MAR-TRE-be9ff7d2-97
0.276
MAR-TRE-8190bb11-5
0.275
MAR-TRE-9d18ae8c-59
0.275
MAR-TRE-85681e92-22
0.274
MAR-TRE-a9136c7b-36
0.274
MAR-TRE-87acfbcc-72
0.271
MAR-TRE-92684b97-56
0.271
MAR-TRE-799db12b-94
0.270
MAR-TRE-9d18ae8c-60
0.269
MAR-TRE-4f39ef4a-66
0.269
MAR-TRE-66ac689e-57
0.268
MAR-TRE-be9ff7d2-84
0.267
MAR-TRE-799db12b-32
0.267
MAR-TRE-be9ff7d2-47
0.265
MAR-TRE-8190bb11-11
0.264
MAR-TRE-92684b97-51
0.264
MAR-TRE-9d18ae8c-21
0.264
MAR-TRE-799db12b-50
0.263
MAR-TRE-9d18ae8c-14
0.263
MAR-TRE-66ac689e-27
0.263
MAR-TRE-799db12b-78
0.263
MAR-TRE-85681e92-65
0.262
MAR-TRE-e86a56b5-63
0.262
MAR-TRE-fffca54f-96
0.262
MAR-TRE-e82e6c98-70
0.261
MAR-TRE-66ac689e-3
0.260
MAR-TRE-a9136c7b-49
0.260
MAR-TRE-66ac689e-94
0.260
MAR-TRE-8190bb11-25
0.260
MAR-TRE-4f781e27-51
0.260
MAR-TRE-a9136c7b-70
0.260
MAR-TRE-9d18ae8c-20
0.259