Molecular Properties | |
SMILES: | COC(=O)C(Cc1coc2ccccc12)NC(=O)c1cncnc1 |
MW: | 325.11 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 94.32 |
cLogP: | 1.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-92684b97-5
0.754
MAR-TRE-4f781e27-69
0.582
MAR-TRE-8190bb11-98
0.500
MAR-TRE-a9136c7b-22
0.494
MAR-TRE-4f781e27-26
0.488
MAR-TRE-799db12b-12
0.488
MAR-TRE-c317dd82-38
0.483
MAR-TRE-92684b97-8
0.482
MAR-TRE-4f781e27-5
0.477
MAR-TRE-8190bb11-70
0.476
MAR-TRE-e82e6c98-71
0.430
MAR-TRE-e82e6c98-34
0.427
MAR-TRE-9d18ae8c-17
0.424
MAR-TRE-4f781e27-6
0.416
MAR-TRE-4f781e27-54
0.415
MAR-TRE-4f781e27-93
0.402
MAR-TRE-66ac689e-48
0.393
MAR-TRE-92684b97-97
0.389
MAR-TRE-4f781e27-56
0.384
MAR-TRE-92684b97-68
0.382
MAR-TRE-c317dd82-48
0.377
MAR-TRE-66ac689e-87
0.375
MAR-TRE-e82e6c98-100
0.373
MAR-TRE-4f781e27-86
0.373
MAR-TRE-4f781e27-40
0.373
MAR-TRE-8190bb11-48
0.370
MAR-TRE-66ac689e-52
0.363
MAR-TRE-4f781e27-24
0.361
MAR-TRE-92684b97-77
0.361
MAR-TRE-9d18ae8c-8
0.360
MAR-TRE-66ac689e-77
0.360
MAR-TRE-be9ff7d2-10
0.359
MAR-TRE-e82e6c98-77
0.358
MAR-TRE-e82e6c98-91
0.356
MAR-TRE-4f781e27-20
0.356
MAR-TRE-4f781e27-94
0.355
MAR-TRE-4f781e27-39
0.354
MAR-TRE-4f781e27-14
0.353
MAR-TRE-92684b97-41
0.349
MAR-TRE-8190bb11-11
0.349
MAR-TRE-92684b97-51
0.349
MAR-TRE-9d18ae8c-85
0.349
MAR-TRE-be9ff7d2-84
0.349
MAR-TRE-66ac689e-81
0.349
MAR-TRE-4f781e27-45
0.349
MAR-TRE-be9ff7d2-68
0.349
MAR-TRE-9d18ae8c-94
0.348
MAR-TRE-9d18ae8c-60
0.348
MAR-TRE-9d18ae8c-86
0.348
MAR-TRE-e82e6c98-30
0.346
MAR-TRE-e82e6c98-20
0.345
MAR-TRE-be9ff7d2-61
0.345
MAR-TRE-e82e6c98-79
0.345
MAR-TRE-66ac689e-84
0.345
MAR-TRE-4f781e27-100
0.345
MAR-TRE-be9ff7d2-9
0.344
MAR-TRE-be9ff7d2-16
0.341
MAR-TRE-be9ff7d2-97
0.341
MAR-TRE-a9136c7b-70
0.341
MAR-TRE-66ac689e-97
0.341
MAR-TRE-8190bb11-17
0.341
MAR-TRE-4f781e27-83
0.341
MAR-TRE-92684b97-12
0.340
MAR-TRE-be9ff7d2-47
0.338
MAR-TRE-66ac689e-57
0.337
MAR-TRE-66ac689e-93
0.337
MAR-TRE-799db12b-31
0.337
MAR-TRE-92684b97-98
0.337
MAR-TRE-a9136c7b-91
0.333
MAR-TRE-92684b97-93
0.333
MAR-TRE-92684b97-96
0.333
MAR-TRE-8190bb11-10
0.333
MAR-TRE-9d18ae8c-19
0.330
MAR-TRE-8190bb11-23
0.330
MAR-TRE-9d18ae8c-24
0.330
MAR-TRE-be9ff7d2-21
0.330
MAR-TRE-e82e6c98-46
0.330
MAR-TRE-be9ff7d2-93
0.330
MAR-TRE-66ac689e-71
0.330
MAR-TRE-9d18ae8c-99
0.330
MAR-TRE-66ac689e-18
0.329
MAR-TRE-4f781e27-29
0.329
MAR-TRE-8190bb11-93
0.326
MAR-TRE-9d18ae8c-22
0.326
MAR-TRE-8190bb11-25
0.326
MAR-TRE-a9136c7b-49
0.326
MAR-TRE-799db12b-47
0.326
MAR-TRE-66ac689e-95
0.326
MAR-TRE-92684b97-71
0.326
MAR-TRE-799db12b-84
0.326
MAR-TRE-92684b97-2
0.323
MAR-TRE-8190bb11-76
0.323
MAR-TRE-c317dd82-94
0.322
MAR-TRE-799db12b-94
0.322
MAR-TRE-9d18ae8c-40
0.322
MAR-TRE-66ac689e-79
0.322
MAR-TRE-799db12b-46
0.322
MAR-TRE-66ac689e-80
0.322
MAR-TRE-a9136c7b-13
0.320
MAR-TRE-799db12b-85
0.319