Molecular Properties | |
SMILES: | O=C(NC(Cc1coc2ccccc12)C(=O)O)c1cncnc1 |
MW: | 311.09 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 105.32 |
cLogP: | 1.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-27
0.754
MAR-TRE-92684b97-8
0.618
MAR-TRE-8190bb11-98
0.521
MAR-TRE-4f781e27-93
0.506
MAR-TRE-92684b97-97
0.506
MAR-TRE-e82e6c98-100
0.500
MAR-TRE-66ac689e-48
0.481
MAR-TRE-be9ff7d2-10
0.470
MAR-TRE-4f781e27-24
0.467
MAR-TRE-4f781e27-94
0.464
MAR-TRE-be9ff7d2-61
0.462
MAR-TRE-be9ff7d2-9
0.452
MAR-TRE-4f781e27-56
0.450
MAR-TRE-66ac689e-81
0.449
MAR-TRE-be9ff7d2-84
0.449
MAR-TRE-e82e6c98-20
0.447
MAR-TRE-8190bb11-48
0.440
MAR-TRE-66ac689e-87
0.439
MAR-TRE-be9ff7d2-21
0.439
MAR-TRE-4f781e27-69
0.435
MAR-TRE-92684b97-41
0.434
MAR-TRE-8190bb11-17
0.434
MAR-TRE-4f781e27-54
0.430
MAR-TRE-4f781e27-6
0.430
MAR-TRE-92684b97-98
0.429
MAR-TRE-4f781e27-39
0.421
MAR-TRE-8190bb11-23
0.419
MAR-TRE-9d18ae8c-8
0.407
MAR-TRE-66ac689e-19
0.402
MAR-TRE-92684b97-51
0.397
MAR-TRE-8190bb11-11
0.397
MAR-TRE-e82e6c98-30
0.395
MAR-TRE-e82e6c98-79
0.390
MAR-TRE-66ac689e-77
0.388
MAR-TRE-be9ff7d2-47
0.387
MAR-TRE-e82e6c98-91
0.386
MAR-TRE-a9136c7b-22
0.380
MAR-TRE-799db12b-12
0.374
MAR-TRE-be9ff7d2-93
0.373
MAR-TRE-9d18ae8c-17
0.372
MAR-TRE-8190bb11-35
0.371
MAR-TRE-8190bb11-25
0.369
MAR-TRE-92684b97-68
0.364
MAR-TRE-8190bb11-91
0.364
MAR-TRE-be9ff7d2-68
0.361
MAR-TRE-9d18ae8c-94
0.360
MAR-TRE-4f781e27-26
0.359
MAR-TRE-e82e6c98-71
0.358
MAR-TRE-e82e6c98-34
0.357
MAR-TRE-4f781e27-100
0.357
MAR-TRE-8190bb11-70
0.356
MAR-TRE-c317dd82-38
0.355
MAR-TRE-8190bb11-71
0.354
MAR-TRE-92684b97-27
0.354
MAR-TRE-92684b97-50
0.354
MAR-TRE-be9ff7d2-16
0.354
MAR-TRE-4f781e27-51
0.353
MAR-TRE-9d18ae8c-22
0.352
MAR-TRE-8190bb11-93
0.352
MAR-TRE-4f781e27-5
0.351
MAR-TRE-e82e6c98-72
0.350
MAR-TRE-a9136c7b-93
0.349
MAR-TRE-799db12b-95
0.346
MAR-TRE-9d18ae8c-64
0.346
MAR-TRE-4f781e27-99
0.346
MAR-TRE-8190bb11-56
0.345
MAR-TRE-c317dd82-95
0.344
MAR-TRE-66ac689e-52
0.344
MAR-TRE-c317dd82-41
0.342
MAR-TRE-9d18ae8c-59
0.342
MAR-TRE-92684b97-77
0.341
MAR-TRE-799db12b-61
0.341
MAR-TRE-4f781e27-29
0.341
MAR-TRE-66ac689e-41
0.341
MAR-TRE-8190bb11-97
0.341
MAR-TRE-9d18ae8c-99
0.341
MAR-TRE-66ac689e-84
0.341
MAR-TRE-92684b97-56
0.338
MAR-TRE-a9136c7b-36
0.337
MAR-TRE-9d18ae8c-67
0.337
MAR-TRE-be9ff7d2-97
0.337
MAR-TRE-4f781e27-83
0.337
MAR-TRE-4f781e27-20
0.337
MAR-TRE-66ac689e-93
0.333
MAR-TRE-4f781e27-4
0.333
MAR-TRE-92684b97-35
0.333
MAR-TRE-92684b97-86
0.333
MAR-TRE-9d18ae8c-28
0.333
MAR-TRE-9d18ae8c-97
0.333
MAR-TRE-a9136c7b-67
0.333
MAR-TRE-799db12b-31
0.333
MAR-TRE-8190bb11-6
0.333
MAR-TRE-8190bb11-28
0.333
MAR-TRE-8190bb11-59
0.333
MAR-TRE-92684b97-17
0.333
MAR-TRE-799db12b-79
0.329
MAR-TRE-8190bb11-10
0.329
MAR-TRE-9d18ae8c-87
0.329
MAR-TRE-92684b97-80
0.329
MAR-TRE-9d18ae8c-21
0.329