Molecular Properties | |
SMILES: | COC(=O)c1cccc(C(NC(=O)c2cncnc2)C(=O)O)c1 |
MW: | 315.09 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 118.48 |
cLogP: | 0.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-8190bb11-28
0.717
MAR-TRE-66ac689e-93
0.646
MAR-TRE-8190bb11-71
0.619
MAR-TRE-8190bb11-59
0.609
MAR-TRE-92684b97-17
0.609
MAR-TRE-92684b97-35
0.609
MAR-TRE-799db12b-79
0.565
MAR-TRE-92684b97-80
0.529
MAR-TRE-4f781e27-14
0.529
MAR-TRE-799db12b-96
0.522
MAR-TRE-4f781e27-45
0.521
MAR-TRE-c317dd82-41
0.516
MAR-TRE-9d18ae8c-28
0.507
MAR-TRE-8190bb11-54
0.500
MAR-TRE-799db12b-61
0.500
MAR-TRE-66ac689e-84
0.493
MAR-TRE-9d18ae8c-80
0.480
MAR-TRE-799db12b-95
0.471
MAR-TRE-9d18ae8c-64
0.465
MAR-TRE-be9ff7d2-86
0.453
MAR-TRE-8190bb11-91
0.449
MAR-TRE-799db12b-55
0.446
MAR-TRE-e82e6c98-30
0.443
MAR-TRE-799db12b-23
0.438
MAR-TRE-92684b97-77
0.438
MAR-TRE-92684b97-27
0.437
MAR-TRE-92684b97-50
0.437
MAR-TRE-9d18ae8c-60
0.436
MAR-TRE-66ac689e-71
0.434
MAR-TRE-a9136c7b-70
0.429
MAR-TRE-66ac689e-97
0.429
MAR-TRE-a9136c7b-66
0.425
MAR-TRE-9d18ae8c-85
0.425
MAR-TRE-4f781e27-56
0.423
MAR-TRE-9d18ae8c-8
0.416
MAR-TRE-92684b97-32
0.415
MAR-TRE-4f781e27-86
0.413
MAR-TRE-4f781e27-40
0.413
MAR-TRE-8190bb11-48
0.411
MAR-TRE-9d18ae8c-24
0.410
MAR-TRE-66ac689e-72
0.408
MAR-TRE-92684b97-86
0.408
MAR-TRE-799db12b-78
0.407
MAR-TRE-a9136c7b-91
0.403
MAR-TRE-9d18ae8c-9
0.402
MAR-TRE-8190bb11-14
0.400
MAR-TRE-8190bb11-26
0.400
MAR-TRE-4f781e27-71
0.400
MAR-TRE-9d18ae8c-88
0.400
MAR-TRE-66ac689e-41
0.400
MAR-TRE-66ac689e-27
0.397
MAR-TRE-799db12b-73
0.397
MAR-TRE-9d18ae8c-99
0.397
MAR-TRE-8190bb11-70
0.395
MAR-TRE-9d18ae8c-17
0.395
MAR-TRE-a9136c7b-36
0.395
MAR-TRE-9d18ae8c-19
0.393
MAR-TRE-be9ff7d2-97
0.392
MAR-TRE-8190bb11-25
0.392
MAR-TRE-4f781e27-20
0.390
MAR-TRE-8190bb11-11
0.387
MAR-TRE-92684b97-92
0.386
MAR-TRE-799db12b-32
0.385
MAR-TRE-66ac689e-98
0.385
MAR-TRE-92684b97-85
0.385
MAR-TRE-66ac689e-61
0.383
MAR-TRE-66ac689e-45
0.383
MAR-TRE-be9ff7d2-3
0.382
MAR-TRE-66ac689e-18
0.382
MAR-TRE-92684b97-1
0.381
MAR-TRE-9d18ae8c-86
0.381
MAR-TRE-66ac689e-22
0.380
MAR-TRE-a9136c7b-49
0.375
MAR-TRE-66ac689e-57
0.373
MAR-TRE-799db12b-19
0.372
MAR-TRE-92684b97-12
0.372
MAR-TRE-9d18ae8c-97
0.372
MAR-TRE-66ac689e-92
0.370
MAR-TRE-8190bb11-87
0.370
MAR-TRE-92684b97-29
0.370
MAR-TRE-9d18ae8c-1
0.369
MAR-TRE-66ac689e-68
0.367
MAR-TRE-8190bb11-56
0.367
MAR-TRE-9d18ae8c-59
0.365
MAR-TRE-8190bb11-97
0.364
MAR-TRE-799db12b-50
0.362
MAR-TRE-9d18ae8c-37
0.362
MAR-TRE-799db12b-28
0.361
MAR-TRE-66ac689e-87
0.361
MAR-TRE-92684b97-18
0.361
MAR-TRE-9d18ae8c-4
0.361
MAR-TRE-c317dd82-48
0.361
MAR-TRE-799db12b-36
0.360
MAR-TRE-92684b97-56
0.360
MAR-TRE-799db12b-47
0.359
MAR-TRE-66ac689e-95
0.359
MAR-TRE-92684b97-71
0.359
MAR-TRE-9d18ae8c-67
0.359
MAR-TRE-4f781e27-51
0.358
MAR-TRE-9d18ae8c-22
0.357