Molecular Properties | |
SMILES: | O=C1CC(Cc2ccc(NC(=O)c3cncnc3)cc2)C(=O)N1 |
MW: | 310.11 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 101.05 |
cLogP: | 0.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
MAR-TRE-4f781e27-31
0.588
MAR-TRE-9d18ae8c-15
0.522
MAR-TRE-66ac689e-2
0.507
MAR-TRE-4f781e27-12
0.486
MAR-TRE-8190bb11-65
0.479
MAR-TRE-66ac689e-51
0.473
MAR-TRE-9d18ae8c-58
0.473
MAR-TRE-66ac689e-88
0.458
MAR-TRE-8190bb11-69
0.440
MAR-TRE-8190bb11-7
0.436
MAR-TRE-9d18ae8c-2
0.410
MAR-TRE-799db12b-17
0.391
MAR-TRE-4f781e27-1
0.384
MAR-TRE-a9136c7b-89
0.378
MAR-TRE-799db12b-93
0.353
MAR-TRE-a9136c7b-9
0.352
MAR-TRE-a9136c7b-42
0.345
MAR-TRE-66ac689e-31
0.345
MAR-TRE-4f781e27-92
0.337
MAR-TRE-92684b97-25
0.333
MAR-TRE-a9136c7b-14
0.330
MAR-TRE-4f781e27-13
0.329
MAR-TRE-c317dd82-23
0.326
MAR-TRE-799db12b-26
0.326
MAR-TRE-8190bb11-4
0.326
MAR-TRE-66ac689e-24
0.326
MAR-TRE-9d18ae8c-14
0.325
MAR-TRE-9d18ae8c-76
0.325
MAR-TRE-a9136c7b-4
0.323
MAR-TRE-c317dd82-56
0.322
MAR-TRE-a9136c7b-57
0.322
MAR-TRE-66ac689e-8
0.321
MAR-TRE-92684b97-55
0.321
MAR-TRE-799db12b-40
0.318
MAR-TRE-c317dd82-69
0.318
MAR-TRE-c317dd82-91
0.317
MAR-TRE-e82e6c98-80
0.316
MAR-TRE-be9ff7d2-20
0.316
MAR-TRE-e82e6c98-50
0.313
MAR-TRE-4f781e27-49
0.312
MAR-TRE-e82e6c98-41
0.312
MAR-TRE-a9136c7b-64
0.310
MAR-TRE-66ac689e-89
0.310
MAR-TRE-be9ff7d2-46
0.310
MAR-TRE-e82e6c98-38
0.310
MAR-TRE-799db12b-39
0.310
MAR-TRE-9d18ae8c-72
0.308
MAR-TRE-be9ff7d2-75
0.308
MAR-TRE-c317dd82-16
0.307
MAR-TRE-4f781e27-47
0.307
MAR-TRE-8190bb11-51
0.305
MAR-TRE-92684b97-88
0.305
MAR-TRE-799db12b-74
0.305
MAR-TRE-92684b97-76
0.305
MAR-TRE-4f781e27-85
0.304
MAR-TRE-a9136c7b-95
0.303
MAR-TRE-a9136c7b-99
0.303
MAR-TRE-9d18ae8c-39
0.303
MAR-TRE-c317dd82-68
0.303
MAR-TRE-92684b97-78
0.303
MAR-TRE-66ac689e-21
0.302
MAR-TRE-8190bb11-86
0.302
MAR-TRE-66ac689e-30
0.301
MAR-TRE-799db12b-37
0.300
MAR-TRE-4f781e27-59
0.299
MAR-TRE-66ac689e-40
0.299
MAR-TRE-66ac689e-76
0.299
MAR-TRE-e82e6c98-99
0.299
MAR-TRE-9d18ae8c-61
0.299
MAR-TRE-66ac689e-26
0.298
MAR-TRE-799db12b-20
0.298
MAR-TRE-799db12b-63
0.298
MAR-TRE-a9136c7b-86
0.297
MAR-TRE-9d18ae8c-34
0.297
MAR-TRE-4f781e27-84
0.296
MAR-TRE-92684b97-41
0.296
MAR-TRE-c317dd82-8
0.296
MAR-TRE-c317dd82-63
0.296
MAR-TRE-be9ff7d2-25
0.296
MAR-TRE-be9ff7d2-41
0.296
MAR-TRE-9d18ae8c-83
0.295
MAR-TRE-799db12b-2
0.295
MAR-TRE-9d18ae8c-18
0.295
MAR-TRE-8190bb11-24
0.295
MAR-TRE-8190bb11-85
0.295
MAR-TRE-e82e6c98-58
0.294
MAR-TRE-4f781e27-36
0.294
MAR-TRE-66ac689e-50
0.294
MAR-TRE-66ac689e-83
0.294
MAR-TRE-9d18ae8c-96
0.293
MAR-TRE-92684b97-75
0.293
MAR-TRE-8190bb11-50
0.293
MAR-TRE-8190bb11-97
0.293
MAR-TRE-be9ff7d2-83
0.293
MAR-TRE-66ac689e-46
0.292
MAR-TRE-799db12b-43
0.292
MAR-TRE-799db12b-34
0.292
MAR-TRE-4f781e27-60
0.292
MAR-TRE-799db12b-72
0.292
MAR-TRE-c317dd82-7
0.292