Molecular Properties | |
SMILES: | COC(=O)C(NC(=O)c1cncnc1)c1cccc2ccccc12 |
MW: | 321.11 |
Fraction sp3: | 0.11 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.18 |
cLogP: | 2.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-9d18ae8c-8
0.727
MAR-TRE-92684b97-68
0.600
MAR-TRE-4f781e27-86
0.563
MAR-TRE-4f781e27-40
0.563
MAR-TRE-9d18ae8c-94
0.560
MAR-TRE-9d18ae8c-60
0.500
MAR-TRE-66ac689e-52
0.494
MAR-TRE-a9136c7b-91
0.487
MAR-TRE-4f781e27-14
0.455
MAR-TRE-4f781e27-45
0.449
MAR-TRE-9d18ae8c-85
0.434
MAR-TRE-9d18ae8c-64
0.434
MAR-TRE-66ac689e-84
0.425
MAR-TRE-4f781e27-27
0.424
MAR-TRE-8190bb11-25
0.420
MAR-TRE-8190bb11-91
0.419
MAR-TRE-9d18ae8c-28
0.418
MAR-TRE-92684b97-96
0.410
MAR-TRE-92684b97-50
0.408
MAR-TRE-92684b97-27
0.408
MAR-TRE-66ac689e-71
0.407
MAR-TRE-a9136c7b-70
0.402
MAR-TRE-4f781e27-69
0.402
MAR-TRE-66ac689e-93
0.400
MAR-TRE-92684b97-2
0.395
MAR-TRE-8190bb11-10
0.395
MAR-TRE-799db12b-23
0.392
MAR-TRE-c317dd82-48
0.392
AAR-POS-d2a4d1df-39
0.392
MAR-TRE-92684b97-93
0.391
MAR-TRE-be9ff7d2-86
0.390
MAR-TRE-8190bb11-98
0.388
MAR-TRE-799db12b-78
0.384
MAR-TRE-9d18ae8c-97
0.383
MAR-TRE-799db12b-95
0.382
MAR-TRE-8190bb11-11
0.380
MAR-TRE-e82e6c98-30
0.377
MAR-TRE-799db12b-85
0.375
MAR-TRE-9d18ae8c-99
0.373
MAR-TRE-92684b97-5
0.372
MAR-TRE-8190bb11-70
0.372
MAR-TRE-e82e6c98-77
0.372
MAR-TRE-8190bb11-71
0.372
MAR-TRE-92684b97-76
0.370
MAR-TRE-be9ff7d2-64
0.369
MAR-TRE-66ac689e-57
0.367
MAR-TRE-8190bb11-59
0.367
MAR-TRE-92684b97-17
0.367
MAR-TRE-92684b97-35
0.367
MAR-TRE-8190bb11-28
0.367
MAR-TRE-66ac689e-79
0.366
MAR-TRE-92684b97-86
0.366
MAR-TRE-a9136c7b-22
0.366
MAR-TRE-92684b97-80
0.362
MAR-TRE-799db12b-79
0.361
MAR-TRE-9d18ae8c-74
0.361
MAR-TRE-92684b97-85
0.361
MAR-TRE-8190bb11-14
0.360
MAR-TRE-e82e6c98-71
0.358
MAR-TRE-66ac689e-18
0.358
MAR-TRE-92684b97-77
0.358
MAR-TRE-4f781e27-91
0.358
MAR-TRE-92684b97-84
0.356
MAR-TRE-4f781e27-9
0.356
MAR-TRE-799db12b-84
0.354
MAR-TRE-799db12b-47
0.354
MAR-TRE-92684b97-71
0.354
MAR-TRE-be9ff7d2-97
0.353
MAR-TRE-66ac689e-97
0.353
MAR-TRE-66ac689e-36
0.352
MAR-TRE-4f781e27-20
0.352
MAR-TRE-4f781e27-5
0.351
MAR-TRE-799db12b-46
0.349
MAR-TRE-66ac689e-72
0.349
MAR-TRE-799db12b-94
0.349
MAR-TRE-66ac689e-80
0.349
MAR-TRE-4f781e27-56
0.349
MAR-TRE-92684b97-98
0.348
MAR-TRE-a9136c7b-66
0.346
MAR-TRE-92684b97-51
0.346
MAR-TRE-92684b97-99
0.346
MAR-TRE-be9ff7d2-6
0.345
MAR-TRE-8190bb11-26
0.345
MAR-TRE-4f781e27-71
0.345
MAR-TRE-92684b97-32
0.344
MAR-TRE-9d18ae8c-86
0.344
MAR-TRE-c317dd82-41
0.342
MAR-TRE-4f781e27-29
0.341
MAR-TRE-be9ff7d2-3
0.341
MAR-TRE-799db12b-50
0.341
MAR-TRE-e82e6c98-34
0.341
MAR-TRE-66ac689e-77
0.341
MAR-TRE-92684b97-97
0.341
MAR-TRE-9d18ae8c-24
0.341
MAR-TRE-92684b97-56
0.338
MAR-TRE-a9136c7b-36
0.337
MAR-TRE-66ac689e-95
0.337
MAR-TRE-799db12b-80
0.337
MAR-TRE-4f781e27-51
0.337
MAR-TRE-a9136c7b-58
0.337