Molecular Properties | |
SMILES: | NC(=O)CC(Nc1cncnc1)C(=O)O |
MW: | 210.08 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 118.2 |
cLogP: | -0.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-85681e92-57
0.707
MAR-TRE-85681e92-88
0.644
MAR-TRE-85681e92-74
0.528
MAR-TRE-85681e92-70
0.509
MAR-TRE-85681e92-29
0.500
MAR-TRE-85681e92-46
0.491
MAR-TRE-85681e92-91
0.491
MAR-TRE-85681e92-92
0.468
MAR-TRE-85681e92-42
0.467
MAR-TRE-85681e92-83
0.465
MAR-TRE-85681e92-60
0.448
MAR-TRE-85681e92-40
0.443
MAR-TRE-85681e92-78
0.443
MAR-TRE-85681e92-51
0.439
MAR-TRE-85681e92-45
0.433
MAR-TRE-423310b6-9
0.429
MAR-TRE-85681e92-38
0.426
MAR-TRE-85681e92-39
0.426
MAR-TRE-85681e92-71
0.426
MAR-TRE-85681e92-49
0.418
MAR-TRE-85681e92-20
0.414
MAR-TRE-85681e92-64
0.406
MAR-TRE-85681e92-37
0.383
MAR-TRE-85681e92-34
0.377
MAR-TRE-85681e92-85
0.362
MAR-TRE-85681e92-93
0.360
JOH-IMS-4b4cc7e6-3
0.356
MAR-TRE-85681e92-22
0.345
MAR-TRE-8190bb11-48
0.328
MAR-TRE-4f781e27-39
0.328
MAR-TRE-85681e92-52
0.328
MAR-TRE-85681e92-61
0.327
BEN-DND-03406596-4
0.322
BEN-DND-93268d01-1
0.322
BEN-DND-03406596-11
0.322
BEN-DND-03406596-12
0.322
MAR-TRE-e82e6c98-20
0.318
MAR-TRE-e82e6c98-100
0.313
MAR-TRE-85681e92-65
0.309
MAR-TRE-e82e6c98-72
0.308
MAR-TRE-be9ff7d2-84
0.304
MAR-TRE-66ac689e-81
0.304
MAR-TRE-92684b97-41
0.303
MAR-TRE-e82e6c98-70
0.302
MAR-TRE-e82e6c98-79
0.300
MAR-TRE-66ac689e-48
0.300
MAR-TRE-423310b6-7
0.300
MAR-TRE-be9ff7d2-61
0.300
MAR-TRE-be9ff7d2-93
0.300
MAR-TRE-4f781e27-24
0.299
MAR-TRE-e82e6c98-71
0.299
MAR-TRE-423310b6-39
0.297
MAR-TRE-a9136c7b-49
0.296
MAR-TRE-c317dd82-21
0.295
MAR-TRE-423310b6-42
0.293
MAR-TRE-4f781e27-56
0.292
MAR-TRE-c317dd82-48
0.290
MAR-TRE-85681e92-56
0.290
JAN-GHE-5a013bed-9
0.286
MAR-TRE-85681e92-76
0.286
MAR-TRE-85681e92-81
0.286
MAR-TRE-66ac689e-87
0.284
MAR-TRE-92684b97-51
0.284
MAR-TRE-85681e92-35
0.283
MAR-TRE-85681e92-77
0.283
MAR-TRE-423310b6-16
0.281
MAR-TRE-85681e92-97
0.281
MAR-TRE-66ac689e-18
0.279
MAK-UNK-f2409524-9
0.277
MAR-TRE-9d18ae8c-59
0.277
MAR-TRE-92684b97-98
0.276
MAR-TRE-87acfbcc-12
0.276
MAR-TRE-c317dd82-41
0.274
MAR-TRE-c317dd82-95
0.273
MAR-TRE-92684b97-56
0.273
MAR-TRE-e82e6c98-77
0.273
MAR-TRE-c317dd82-94
0.271
MAR-TRE-92684b97-86
0.271
MAR-TRE-87acfbcc-41
0.271
MAR-TRE-8190bb11-23
0.269
SUG-SAT-424020ef-1
0.269
MAR-TRE-be9ff7d2-10
0.269
MAR-TRE-8190bb11-35
0.269
MAR-TRE-be9ff7d2-15
0.268
MAR-TRE-e82e6c98-13
0.268
MAR-TRE-423310b6-72
0.267
MAR-TRE-87acfbcc-38
0.267
MAR-TRE-be9ff7d2-21
0.267
MAR-TRE-8190bb11-70
0.267
MAR-TRE-fd17a9b8-75
0.267
MAR-TRE-92684b97-5
0.267
MAR-TRE-8190bb11-11
0.265
MAR-TRE-e82e6c98-76
0.265
MAR-TRE-9d18ae8c-21
0.265
MAR-TRE-9d18ae8c-64
0.265
MAR-TRE-e82e6c98-34
0.264
MAR-TRE-9d18ae8c-8
0.264
MAR-TRE-8190bb11-17
0.263
MAR-TRE-4f781e27-93
0.263
MAR-TRE-87acfbcc-91
0.262