Molecular Properties | |
SMILES: | O=C(O)CCn1cc(C(=O)NC(=O)c2cncnc2)c(=O)[nH]c1=O |
MW: | 333.07 |
Fraction sp3: | 0.15 |
HBA: | 8 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 164.11 |
cLogP: | -1.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
Filter82_pyridinium
MAR-TRE-be9ff7d2-32
0.521
MAR-TRE-c317dd82-70
0.436
MAR-TRE-a9136c7b-18
0.412
MAR-TRE-be9ff7d2-18
0.405
MAR-TRE-e82e6c98-19
0.372
MAR-TRE-92684b97-66
0.368
MAR-TRE-c317dd82-21
0.356
MAR-TRE-a9136c7b-50
0.356
MAR-TRE-c317dd82-36
0.354
MAR-TRE-e82e6c98-7
0.351
MAR-TRE-c317dd82-92
0.346
MAR-TRE-66ac689e-9
0.345
MAR-TRE-be9ff7d2-94
0.338
MAR-TRE-66ac689e-38
0.338
MAR-TRE-be9ff7d2-93
0.337
MAR-TRE-e82e6c98-35
0.337
MAR-TRE-c317dd82-55
0.333
MAR-TRE-e82e6c98-72
0.329
MAR-TRE-e82e6c98-12
0.325
MAR-TRE-8190bb11-96
0.325
MAR-TRE-c317dd82-2
0.322
MAR-TRE-799db12b-50
0.321
MAR-TRE-92684b97-78
0.316
MAR-TRE-c317dd82-19
0.314
MAR-TRE-c317dd82-54
0.313
MAR-TRE-8190bb11-48
0.312
MAR-TRE-c317dd82-78
0.312
MAR-TRE-c317dd82-52
0.311
MAR-TRE-9d18ae8c-89
0.309
MAR-TRE-be9ff7d2-25
0.309
MAR-TRE-e82e6c98-70
0.308
MAR-TRE-8190bb11-43
0.307
MAR-TRE-66ac689e-18
0.305
MAR-TRE-e82e6c98-49
0.304
MAR-TRE-e82e6c98-30
0.304
MAR-TRE-e82e6c98-60
0.302
MAR-TRE-66ac689e-15
0.301
MAR-TRE-92684b97-38
0.301
MAR-TRE-be9ff7d2-44
0.301
MAR-TRE-66ac689e-91
0.300
MAR-TRE-be9ff7d2-77
0.300
MAR-TRE-be9ff7d2-85
0.300
MAR-TRE-e82e6c98-47
0.300
MAR-TRE-66ac689e-92
0.299
MAR-TRE-8190bb11-30
0.299
MAR-TRE-e82e6c98-16
0.298
MAR-TRE-9d18ae8c-97
0.298
MAR-TRE-be9ff7d2-20
0.296
MAR-TRE-e82e6c98-26
0.296
MAR-TRE-be9ff7d2-31
0.296
MAR-TRE-be9ff7d2-38
0.296
MAR-TRE-be9ff7d2-49
0.296
MAR-TRE-8190bb11-46
0.295
MAR-TRE-c317dd82-64
0.295
MAR-TRE-be9ff7d2-47
0.295
MAR-TRE-be9ff7d2-74
0.295
MAR-TRE-e82e6c98-32
0.295
MAR-TRE-c317dd82-1
0.294
MAR-TRE-be9ff7d2-45
0.294
MAR-TRE-e82e6c98-76
0.293
MAR-TRE-9d18ae8c-73
0.293
MAR-TRE-e82e6c98-59
0.292
MAR-TRE-be9ff7d2-46
0.292
MAR-TRE-c317dd82-57
0.291
MAR-TRE-a9136c7b-55
0.291
MAR-TRE-4f781e27-96
0.291
MAR-TRE-66ac689e-11
0.289
MAR-TRE-c317dd82-66
0.289
MAR-TRE-be9ff7d2-71
0.289
MAR-TRE-9d18ae8c-59
0.287
MAR-TRE-be9ff7d2-36
0.287
MAR-TRE-66ac689e-97
0.287
MAR-TRE-66ac689e-20
0.287
MAR-TRE-799db12b-67
0.287
MAR-TRE-e82e6c98-22
0.286
MAR-TRE-e82e6c98-48
0.286
MAR-TRE-92684b97-68
0.286
MAR-TRE-e82e6c98-100
0.286
MAR-TRE-8190bb11-98
0.286
MAR-TRE-be9ff7d2-56
0.286
MAR-TRE-e82e6c98-52
0.284
MAR-TRE-66ac689e-96
0.284
MAR-TRE-92684b97-56
0.284
MAR-TRE-e82e6c98-77
0.284
MAR-TRE-a9136c7b-72
0.283
MAR-TRE-4f781e27-28
0.282
MAR-TRE-92684b97-86
0.282
MAR-TRE-c317dd82-68
0.282
MAR-TRE-c317dd82-15
0.281
MAR-TRE-e82e6c98-5
0.281
MAR-TRE-e82e6c98-64
0.281
MAR-TRE-e82e6c98-80
0.280
MAR-TRE-92684b97-74
0.280
MAR-TRE-66ac689e-57
0.280
MAR-TRE-66ac689e-70
0.280
MAR-TRE-c317dd82-99
0.279
MAR-TRE-66ac689e-51
0.279
MAR-TRE-8190bb11-49
0.279
MAR-TRE-8190bb11-81
0.279
MAR-TRE-9d18ae8c-61
0.278