Molecular Properties | |
SMILES: | O=C(O)CC(Nc1cncnc1)C(=O)O |
MW: | 211.06 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 112.41 |
cLogP: | -0.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
too many COOH groups (>1)
MAR-TRE-85681e92-73
0.707
MAR-TRE-85681e92-88
0.600
MAR-TRE-85681e92-70
0.529
MAR-TRE-85681e92-74
0.519
MAR-TRE-85681e92-29
0.519
MAR-TRE-85681e92-91
0.509
MAR-TRE-85681e92-46
0.509
MAR-TRE-85681e92-92
0.489
MAR-TRE-85681e92-78
0.458
MAR-TRE-85681e92-40
0.458
MAR-TRE-85681e92-42
0.458
MAR-TRE-85681e92-83
0.452
MAR-TRE-85681e92-39
0.442
MAR-TRE-85681e92-60
0.439
MAR-TRE-85681e92-51
0.429
MAR-TRE-85681e92-45
0.424
MAR-TRE-85681e92-64
0.418
MAR-TRE-85681e92-38
0.418
MAR-TRE-85681e92-49
0.407
MAR-TRE-423310b6-7
0.407
MAR-TRE-85681e92-20
0.406
MAR-TRE-85681e92-37
0.397
MAR-TRE-85681e92-34
0.390
MAR-TRE-85681e92-71
0.389
MAR-TRE-c317dd82-21
0.375
MAR-TRE-85681e92-65
0.373
MAR-TRE-85681e92-61
0.365
MAR-TRE-8190bb11-48
0.361
MAR-TRE-4f781e27-39
0.361
MAR-TRE-85681e92-22
0.358
MAR-TRE-85681e92-85
0.351
MAR-TRE-e82e6c98-20
0.349
MAR-TRE-be9ff7d2-93
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MAR-TRE-85681e92-93
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MAR-TRE-e82e6c98-100
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MAR-TRE-4f781e27-56
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MAR-TRE-be9ff7d2-84
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MAR-TRE-e82e6c98-70
0.333
MAR-TRE-92684b97-41
0.333
MAR-TRE-66ac689e-81
0.333
MAR-TRE-66ac689e-48
0.328
MAR-TRE-e82e6c98-79
0.328
MAR-TRE-66ac689e-18
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MAR-TRE-4f781e27-24
0.328
MAR-TRE-9d18ae8c-59
0.328
MAR-TRE-85681e92-81
0.326
MAR-TRE-92684b97-56
0.323
MAR-TRE-85681e92-77
0.320
MAR-TRE-92684b97-86
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MAR-TRE-e82e6c98-72
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MAR-TRE-c317dd82-95
0.315
MAR-TRE-92684b97-51
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MAR-TRE-9d18ae8c-21
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BEN-DND-93268d01-1
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BEN-DND-03406596-4
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BEN-DND-03406596-11
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BEN-DND-03406596-12
0.310
MAR-TRE-66ac689e-87
0.310
MAR-TRE-be9ff7d2-61
0.309
MAR-TRE-e82e6c98-71
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MAR-TRE-66ac689e-41
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MAR-TRE-c317dd82-41
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MAR-TRE-a9136c7b-49
0.304
MAR-TRE-66ac689e-97
0.304
MAR-TRE-423310b6-42
0.304
MAR-TRE-423310b6-9
0.300
MAR-TRE-9d18ae8c-97
0.299
MAR-TRE-423310b6-72
0.298
MAR-TRE-fd17a9b8-75
0.298
MAR-TRE-8190bb11-23
0.293
MAR-TRE-8190bb11-35
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MAK-UNK-748f8b7a-12
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MAR-TRE-9d18ae8c-64
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MAR-TRE-8190bb11-11
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MAR-TRE-be9ff7d2-21
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MAR-TRE-92684b97-5
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MAR-TRE-85681e92-97
0.291
MAR-TRE-799db12b-95
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MAR-TRE-8190bb11-91
0.290
MAR-TRE-9d18ae8c-8
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MAR-TRE-799db12b-50
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MAR-TRE-85681e92-41
0.288
MAR-TRE-799db12b-96
0.288
MAR-TRE-799db12b-23
0.288
MAR-TRE-8190bb11-97
0.288
MAR-TRE-a9136c7b-71
0.288
MAR-TRE-8190bb11-17
0.288
MAR-TRE-4f781e27-93
0.288
MAR-TRE-e82e6c98-30
0.286
MAK-UNK-f2409524-9
0.286
MAR-TRE-66ac689e-62
0.286
MAR-TRE-92684b97-98
0.284
MAR-TRE-799db12b-47
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MAR-TRE-66ac689e-95
0.284
MAR-TRE-92684b97-71
0.284
JOH-IMS-4b4cc7e6-3
0.283
MAR-TRE-e82e6c98-77
0.281
MAR-TRE-8190bb11-71
0.281
MAR-TRE-be9ff7d2-48
0.281
MAR-TRE-92684b97-27
0.281