Molecular Properties | |
SMILES: | O=C(NC(Cc1ccc2oc(=O)[nH]c2c1)C(=O)O)c1cncnc1 |
MW: | 328.08 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 138.18 |
cLogP: | 0.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e86a56b5-92
0.535
MAR-TRE-66ac689e-87
0.525
MAR-TRE-66ac689e-81
0.519
MAR-TRE-8190bb11-17
0.519
MAR-TRE-66ac689e-19
0.500
MAR-TRE-4f781e27-24
0.500
MAR-TRE-4f781e27-56
0.500
MAR-TRE-4f781e27-93
0.482
MAR-TRE-2fd8122f-51
0.471
MAR-TRE-92684b97-41
0.468
MAR-TRE-92684b97-98
0.459
MAR-TRE-4f781e27-39
0.436
MAR-TRE-799db12b-82
0.435
MAR-TRE-e82e6c98-20
0.425
MAR-TRE-be9ff7d2-61
0.422
MAR-TRE-92684b97-5
0.419
MAR-TRE-be9ff7d2-84
0.410
MAR-TRE-e86a56b5-35
0.405
MAR-TRE-66ac689e-48
0.405
MAR-TRE-e82e6c98-100
0.402
MAR-TRE-8190bb11-70
0.402
MAR-TRE-be9ff7d2-9
0.400
MAR-TRE-be9ff7d2-10
0.400
MAR-TRE-8190bb11-97
0.390
MAR-TRE-be9ff7d2-93
0.388
MAR-TRE-8190bb11-48
0.383
MAR-TRE-92684b97-8
0.380
MAR-TRE-4f781e27-94
0.380
MAR-TRE-e82e6c98-79
0.372
MAR-TRE-be9ff7d2-21
0.371
MAR-TRE-92684b97-97
0.370
MAR-TRE-be9ff7d2-47
0.367
MAR-TRE-9d18ae8c-19
0.355
MAR-TRE-9d18ae8c-24
0.355
MAR-TRE-85681e92-46
0.349
MAR-TRE-92684b97-92
0.348
MAR-TRE-e82e6c98-70
0.346
MAR-TRE-92684b97-51
0.345
MAR-TRE-c317dd82-95
0.344
MAR-TRE-9d18ae8c-20
0.344
MAR-TRE-c317dd82-41
0.342
MAR-TRE-e82e6c98-30
0.341
MAR-TRE-66ac689e-41
0.341
MAR-TRE-c317dd82-38
0.340
MAR-TRE-8190bb11-71
0.337
MAR-TRE-85681e92-78
0.337
MAR-TRE-85681e92-40
0.337
MAR-TRE-92684b97-17
0.333
MAR-TRE-8190bb11-59
0.333
MAR-TRE-92684b97-35
0.333
MAR-TRE-92684b97-86
0.333
MAR-TRE-9d18ae8c-97
0.333
MAR-TRE-66ac689e-57
0.333
MAR-TRE-a9136c7b-33
0.333
MAR-TRE-799db12b-12
0.330
MAR-TRE-8190bb11-18
0.330
MAR-TRE-4f781e27-27
0.330
MAR-TRE-8190bb11-11
0.329
MAR-TRE-9d18ae8c-87
0.329
MAR-TRE-8190bb11-35
0.326
MAR-TRE-e86a56b5-41
0.326
MAR-TRE-8190bb11-54
0.326
MAR-TRE-799db12b-96
0.326
MAR-TRE-92684b97-75
0.326
MAR-TRE-799db12b-61
0.326
MAR-TRE-e82e6c98-71
0.326
MAR-TRE-66ac689e-18
0.326
MAR-TRE-66ac689e-62
0.325
MAR-TRE-9d18ae8c-59
0.325
MAR-TRE-8190bb11-90
0.323
MAR-TRE-66ac689e-97
0.322
MAR-TRE-be9ff7d2-16
0.322
MAR-TRE-66ac689e-95
0.322
MAR-TRE-85681e92-42
0.322
MAR-TRE-92684b97-27
0.321
MAR-TRE-92684b97-56
0.321
MAR-TRE-8190bb11-76
0.319
MAR-TRE-a9136c7b-93
0.319
MAR-TRE-66ac689e-92
0.319
MAR-TRE-8190bb11-6
0.319
MAR-TRE-92684b97-91
0.319
MAR-TRE-799db12b-46
0.318
MAR-TRE-66ac689e-93
0.318
MAR-TRE-8190bb11-28
0.318
MAR-TRE-e82e6c98-72
0.318
MAR-TRE-4f781e27-26
0.316
MAR-TRE-9d18ae8c-86
0.316
MAR-TRE-4f781e27-71
0.315
MAR-TRE-a9136c7b-46
0.315
MAR-TRE-799db12b-79
0.315
MAR-TRE-92684b97-85
0.315
MAR-TRE-66ac689e-68
0.315
MAR-TRE-92684b97-80
0.314
MAR-TRE-9d18ae8c-21
0.314
MAR-TRE-9d18ae8c-64
0.314
MAR-TRE-8190bb11-47
0.314
MAR-TRE-a9136c7b-66
0.314
MAR-TRE-85681e92-91
0.313
MAR-TRE-799db12b-95
0.313
MAR-TRE-8190bb11-91
0.313