Molecular Properties | |
SMILES: | CC1(c2ccc(C(=O)NC(=O)c3cncnc3)cc2)NC(=O)NC1=O |
MW: | 339.1 |
Fraction sp3: | 0.12 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 130.15 |
cLogP: | 0.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
hydantoin
phthalimide
MAR-TRE-66ac689e-8
0.486
MAR-TRE-66ac689e-1
0.455
MAR-TRE-66ac689e-15
0.431
MAR-TRE-e82e6c98-7
0.394
MAR-TRE-92684b97-66
0.375
MAR-TRE-e82e6c98-19
0.360
MAR-TRE-e82e6c98-72
0.351
MAR-TRE-c317dd82-8
0.347
MAR-TRE-8190bb11-49
0.346
MAR-TRE-c317dd82-21
0.343
MAR-TRE-4f781e27-76
0.342
MAR-TRE-e82e6c98-36
0.341
MAR-TRE-be9ff7d2-50
0.338
MAR-TRE-66ac689e-9
0.333
MAR-TRE-be9ff7d2-94
0.324
BEN-BAS-43e7cce2-1
0.324
MAR-TRE-a9136c7b-18
0.322
MAR-TRE-4f781e27-57
0.321
MAR-TRE-c317dd82-19
0.317
MAR-TRE-66ac689e-28
0.316
MAR-TRE-c317dd82-99
0.312
MAR-TRE-be9ff7d2-25
0.312
MAR-TRE-4f781e27-25
0.312
MAR-TRE-8190bb11-85
0.311
MAR-TRE-9d18ae8c-96
0.310
MAR-TRE-8190bb11-43
0.310
MAR-TRE-92684b97-19
0.309
MAR-TRE-92684b97-38
0.304
MAR-TRE-be9ff7d2-44
0.304
MAR-TRE-c317dd82-96
0.303
MAR-TRE-92684b97-78
0.301
MAR-TRE-66ac689e-5
0.301
MAR-TRE-8190bb11-79
0.301
MAR-TRE-a9136c7b-50
0.300
MAR-TRE-e82e6c98-26
0.299
MAR-TRE-be9ff7d2-31
0.299
MAR-TRE-be9ff7d2-47
0.297
MAR-TRE-be9ff7d2-74
0.297
MAR-TRE-e82e6c98-94
0.297
MAR-TRE-799db12b-32
0.296
MAR-TRE-be9ff7d2-40
0.296
MAR-TRE-8190bb11-65
0.295
MAR-TRE-9d18ae8c-21
0.295
MAR-TRE-e82e6c98-55
0.295
MAR-TRE-66ac689e-87
0.294
MAR-TRE-4f781e27-78
0.293
MAR-TRE-e82e6c98-70
0.293
MAR-TRE-66ac689e-75
0.293
MAR-TRE-799db12b-5
0.293
MAR-TRE-c317dd82-57
0.293
MAR-TRE-4f781e27-33
0.291
MAR-TRE-e82e6c98-45
0.291
MAR-TRE-799db12b-56
0.291
MAR-TRE-8190bb11-52
0.291
MAR-TRE-c317dd82-66
0.291
MAR-TRE-9d18ae8c-72
0.289
MAR-TRE-9d18ae8c-95
0.289
MAR-TRE-e82e6c98-30
0.289
MAR-TRE-9d18ae8c-59
0.289
MAR-TRE-e82e6c98-60
0.289
MAR-TRE-a9136c7b-49
0.289
MAR-TRE-c317dd82-39
0.289
MAR-TRE-8190bb11-20
0.289
MAR-TRE-66ac689e-55
0.289
MAR-TRE-66ac689e-35
0.289
MAR-TRE-be9ff7d2-56
0.288
MAR-TRE-92684b97-95
0.287
MAR-TRE-9d18ae8c-42
0.287
MAR-TRE-c317dd82-87
0.287
MAR-TRE-be9ff7d2-16
0.287
MAR-TRE-92684b97-76
0.287
MAR-TRE-a9136c7b-61
0.286
MAR-TRE-a9136c7b-67
0.286
MAR-TRE-4f781e27-21
0.286
MAR-TRE-92684b97-56
0.286
MAR-TRE-be9ff7d2-88
0.286
MAR-TRE-66ac689e-16
0.284
MAR-TRE-66ac689e-39
0.284
MAR-TRE-4f781e27-31
0.284
MAR-TRE-c317dd82-9
0.284
MAR-TRE-c317dd82-54
0.284
MAR-TRE-9d18ae8c-39
0.284
MAR-TRE-799db12b-7
0.282
MAR-TRE-8190bb11-46
0.282
MAR-TRE-c317dd82-64
0.282
MAR-TRE-9d18ae8c-98
0.282
MAR-TRE-66ac689e-23
0.282
MAR-TRE-4f781e27-39
0.282
MAR-TRE-9d18ae8c-71
0.282
MAR-TRE-c317dd82-53
0.282
MAR-TRE-be9ff7d2-38
0.282
MAR-TRE-8190bb11-44
0.282
MAR-TRE-66ac689e-70
0.282
MAR-TRE-66ac689e-86
0.282
MAR-TRE-66ac689e-14
0.282
MAR-TRE-c317dd82-2
0.281
MAR-TRE-a9136c7b-28
0.280
MAR-TRE-799db12b-63
0.280
MAR-TRE-be9ff7d2-66
0.280
MAR-TRE-9d18ae8c-61
0.280