Molecular Properties | |
SMILES: | O=C(NCc1nc(CN2C(=O)c3ccccc3C2=O)cs1)c1cncnc1 |
MW: | 379.07 |
Fraction sp3: | 0.11 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 105.15 |
cLogP: | 1.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
MAR-TRE-8190bb11-40
0.558
MAR-TRE-e82e6c98-23
0.541
MAR-TRE-be9ff7d2-1
0.513
MAR-TRE-8190bb11-96
0.481
MAR-TRE-be9ff7d2-34
0.422
MAR-TRE-8190bb11-30
0.391
MAR-TRE-e82e6c98-68
0.388
MAR-TRE-92684b97-44
0.368
MAR-TRE-8190bb11-43
0.367
MAR-TRE-66ac689e-47
0.363
MAR-TRE-799db12b-89
0.360
MAR-TRE-92684b97-54
0.356
MAR-TRE-e82e6c98-12
0.356
MAR-TRE-66ac689e-26
0.356
MAR-TRE-8190bb11-81
0.356
MAR-TRE-8190bb11-82
0.356
MAR-TRE-66ac689e-29
0.356
MAR-TRE-8190bb11-31
0.355
MAR-TRE-be9ff7d2-60
0.352
MAR-TRE-92684b97-11
0.349
MAR-TRE-66ac689e-20
0.348
MAR-TRE-4f781e27-28
0.345
MAR-TRE-e82e6c98-16
0.345
MAR-TRE-66ac689e-21
0.344
MAR-TRE-66ac689e-9
0.344
MAR-TRE-92684b97-53
0.344
MAR-TRE-799db12b-35
0.341
MAR-TRE-9d18ae8c-74
0.341
MAR-TRE-e82e6c98-29
0.341
MAR-TRE-9d18ae8c-81
0.341
MAR-TRE-66ac689e-59
0.337
MAR-TRE-be9ff7d2-18
0.337
MAR-TRE-4f781e27-100
0.337
MAR-TRE-799db12b-64
0.337
MAR-TRE-92684b97-78
0.333
MAR-TRE-4f781e27-83
0.333
MAR-TRE-92684b97-81
0.333
MAR-TRE-c317dd82-55
0.333
MAR-TRE-4f781e27-48
0.333
MAR-TRE-8190bb11-64
0.330
MAR-TRE-9d18ae8c-6
0.330
MAR-TRE-92684b97-82
0.330
MAR-TRE-a9136c7b-54
0.330
MAR-TRE-66ac689e-12
0.330
MAR-TRE-c317dd82-92
0.330
MAR-TRE-e82e6c98-26
0.329
MAR-TRE-8190bb11-42
0.329
MAR-TRE-8190bb11-8
0.326
MAR-TRE-92684b97-96
0.326
MAR-TRE-e82e6c98-5
0.326
MAR-TRE-66ac689e-34
0.326
MAR-TRE-9d18ae8c-89
0.326
MAR-TRE-8190bb11-24
0.325
MAR-TRE-4f781e27-49
0.325
MAR-TRE-8190bb11-85
0.325
MAR-TRE-be9ff7d2-67
0.325
MAR-TRE-799db12b-65
0.323
MAR-TRE-9d18ae8c-46
0.323
MAR-TRE-8190bb11-34
0.323
MAR-TRE-799db12b-24
0.323
MAR-TRE-799db12b-59
0.323
MAR-TRE-66ac689e-74
0.323
MAR-TRE-e82e6c98-35
0.322
MAR-TRE-c317dd82-11
0.320
MAR-TRE-9d18ae8c-65
0.320
MAR-TRE-8190bb11-80
0.319
MAR-TRE-be9ff7d2-89
0.319
MAR-TRE-e82e6c98-60
0.319
MAR-TRE-799db12b-44
0.319
MAR-TRE-e82e6c98-91
0.319
MAR-TRE-66ac689e-35
0.319
MAR-TRE-9d18ae8c-53
0.319
MAR-TRE-e82e6c98-75
0.318
MAR-TRE-be9ff7d2-90
0.318
MAR-TRE-8190bb11-13
0.318
MAR-TRE-a9136c7b-17
0.316
MAR-TRE-66ac689e-1
0.316
MAR-TRE-66ac689e-91
0.316
MAR-TRE-8190bb11-88
0.315
MAR-TRE-799db12b-27
0.315
MAR-TRE-8190bb11-73
0.315
MAR-TRE-8190bb11-86
0.315
MAR-TRE-be9ff7d2-17
0.315
MAR-TRE-92684b97-74
0.314
MAR-TRE-799db12b-9
0.314
MAR-TRE-a9136c7b-23
0.313
MAR-TRE-c317dd82-67
0.313
MAR-TRE-799db12b-69
0.312
MAR-TRE-c317dd82-81
0.312
MAR-TRE-be9ff7d2-92
0.312
MAR-TRE-e82e6c98-95
0.312
MAR-TRE-799db12b-52
0.312
MAR-TRE-8190bb11-46
0.312
MAR-TRE-92684b97-37
0.312
MAR-TRE-4f781e27-99
0.310
MAR-TRE-be9ff7d2-41
0.310
MAR-TRE-92684b97-6
0.309
MAR-TRE-66ac689e-54
0.309
MAR-TRE-a9136c7b-100
0.309
MAR-TRE-66ac689e-24
0.309