Molecular Properties | |
SMILES: | O=C(O)CC(NC(=O)c1cncnc1)c1ccc2c(c1)OCO2 |
MW: | 315.09 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 110.64 |
cLogP: | 1.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-62
0.595
MAR-TRE-9d18ae8c-59
0.551
MAR-TRE-92684b97-56
0.543
MAR-TRE-66ac689e-41
0.542
MAR-TRE-8190bb11-17
0.538
MAR-TRE-e82e6c98-70
0.536
MAR-TRE-9d18ae8c-21
0.528
MAR-TRE-92684b97-86
0.527
MAR-TRE-a9136c7b-49
0.526
MAR-TRE-66ac689e-18
0.521
MAR-TRE-66ac689e-97
0.506
MAR-TRE-8190bb11-11
0.447
MAR-TRE-66ac689e-95
0.436
MAR-TRE-92684b97-71
0.436
MAR-TRE-e82e6c98-46
0.434
MAR-TRE-a9136c7b-74
0.434
MAR-TRE-799db12b-46
0.430
MAR-TRE-9d18ae8c-40
0.430
MAR-TRE-66ac689e-80
0.430
MAR-TRE-a9136c7b-55
0.420
MAR-TRE-66ac689e-57
0.416
MAR-TRE-799db12b-94
0.412
MAR-TRE-9d18ae8c-97
0.412
MAR-TRE-8190bb11-47
0.410
MAR-TRE-4f781e27-53
0.409
MAR-TRE-9d18ae8c-66
0.409
MAR-TRE-66ac689e-62
0.408
MAR-TRE-92684b97-2
0.407
MAR-TRE-a9136c7b-21
0.407
MAR-TRE-a9136c7b-59
0.405
MAR-TRE-4f781e27-71
0.405
MAR-TRE-799db12b-50
0.402
MAR-TRE-66ac689e-19
0.398
MAR-TRE-66ac689e-49
0.397
MAR-TRE-4f781e27-73
0.397
MAR-TRE-a9136c7b-69
0.395
MAR-TRE-c317dd82-94
0.395
MAR-TRE-66ac689e-79
0.395
MAR-TRE-66ac689e-92
0.393
MAR-TRE-e82e6c98-13
0.390
MAR-TRE-799db12b-47
0.383
MAR-TRE-799db12b-15
0.381
MAR-TRE-8190bb11-90
0.379
MAR-TRE-92684b97-22
0.379
MAR-TRE-4f781e27-4
0.376
MAR-TRE-66ac689e-68
0.373
MAR-TRE-92684b97-85
0.373
MAR-TRE-8190bb11-54
0.370
MAR-TRE-799db12b-53
0.369
MAR-TRE-be9ff7d2-48
0.367
MAR-TRE-9d18ae8c-24
0.367
MAR-TRE-799db12b-80
0.365
MAR-TRE-8190bb11-6
0.360
JOH-IMS-0f19a540-14
0.358
JOH-IMS-0f19a540-1
0.356
JOH-IMS-7e73aedd-7
0.356
JOH-IMS-7e73aedd-2
0.355
MAR-TRE-4f781e27-91
0.354
MAR-TRE-a9136c7b-19
0.352
MAR-TRE-8190bb11-93
0.348
MAR-TRE-9d18ae8c-51
0.348
MAR-TRE-be9ff7d2-47
0.346
MAR-TRE-8190bb11-48
0.346
MAR-TRE-4f781e27-39
0.346
MAR-TRE-a9136c7b-33
0.345
MAR-TRE-4f781e27-68
0.345
MAR-TRE-92684b97-80
0.341
MAR-TRE-a9136c7b-46
0.341
MAR-TRE-92684b97-93
0.341
MAR-TRE-c317dd82-41
0.338
MAR-TRE-e82e6c98-30
0.338
MAR-TRE-799db12b-96
0.337
MAR-TRE-799db12b-61
0.337
MAR-TRE-4f781e27-44
0.337
MAR-TRE-66ac689e-87
0.337
MAR-TRE-9d18ae8c-50
0.337
MAR-TRE-9d18ae8c-19
0.337
MAR-TRE-e86a56b5-54
0.333
MAR-TRE-92684b97-87
0.333
MAR-TRE-a9136c7b-58
0.333
MAR-TRE-8190bb11-71
0.333
MAR-TRE-9d18ae8c-67
0.333
MAR-TRE-92684b97-49
0.330
MAR-TRE-a9136c7b-93
0.330
MAR-TRE-4f781e27-56
0.330
MAR-TRE-a9136c7b-77
0.330
MAR-TRE-66ac689e-93
0.329
MAR-TRE-799db12b-55
0.329
MAR-TRE-9d18ae8c-28
0.329
MAR-TRE-8190bb11-28
0.329
MAR-TRE-8190bb11-59
0.329
MAR-TRE-92684b97-17
0.329
MAR-TRE-92684b97-35
0.329
MAR-TRE-66ac689e-61
0.326
MAR-TRE-799db12b-79
0.326
MAR-TRE-be9ff7d2-84
0.326
MAR-TRE-799db12b-32
0.326
MAR-TRE-66ac689e-81
0.326
MAR-TRE-8190bb11-56
0.326
MAR-TRE-92684b97-41
0.325