Molecular Properties | |
SMILES: | N#CCCn1cc(C(=O)NC(=O)c2cncnc2)cn1 |
MW: | 270.09 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 113.56 |
cLogP: | 0.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-66ac689e-9
0.385
MAR-TRE-92684b97-66
0.375
MAR-TRE-be9ff7d2-50
0.372
MAR-TRE-66ac689e-38
0.360
MAR-TRE-c317dd82-36
0.359
MAR-TRE-be9ff7d2-46
0.358
MAR-TRE-e82e6c98-7
0.356
MAR-TRE-66ac689e-15
0.355
MAR-TRE-c317dd82-70
0.354
MAR-TRE-be9ff7d2-31
0.351
MAR-TRE-e82e6c98-72
0.351
MAR-TRE-e82e6c98-80
0.351
MAR-TRE-66ac689e-28
0.351
MAR-TRE-c317dd82-91
0.351
MAR-TRE-8190bb11-96
0.347
MAR-TRE-be9ff7d2-25
0.347
MAR-TRE-8190bb11-43
0.341
MAR-TRE-c317dd82-2
0.341
MAR-TRE-be9ff7d2-44
0.338
MAR-TRE-4f781e27-57
0.337
MAR-TRE-c317dd82-54
0.333
MAR-TRE-4f781e27-12
0.333
MAR-TRE-c317dd82-78
0.330
MAR-TRE-c317dd82-64
0.329
MAR-TRE-c317dd82-1
0.329
MAR-TRE-9d18ae8c-87
0.329
MAR-TRE-be9ff7d2-32
0.325
MAR-TRE-92684b97-9
0.325
MAR-TRE-be9ff7d2-94
0.324
MAR-TRE-e82e6c98-43
0.324
MAR-TRE-c317dd82-21
0.324
MAR-TRE-a9136c7b-18
0.322
MAR-TRE-c317dd82-59
0.321
MAR-TRE-8190bb11-21
0.321
MAR-TRE-e82e6c98-54
0.320
MAR-TRE-92684b97-78
0.319
MAR-TRE-be9ff7d2-87
0.318
MAR-TRE-8190bb11-84
0.316
MAR-TRE-92684b97-69
0.316
MAR-TRE-8190bb11-44
0.316
MAR-TRE-be9ff7d2-47
0.315
MAR-TRE-e82e6c98-94
0.315
MAR-TRE-c317dd82-15
0.313
MAR-TRE-8190bb11-82
0.312
MAR-TRE-9d18ae8c-74
0.312
MAR-TRE-8190bb11-49
0.312
MAR-TRE-8190bb11-81
0.312
MAR-TRE-e82e6c98-32
0.311
MAR-TRE-e82e6c98-59
0.310
MAR-TRE-c317dd82-72
0.310
MAR-TRE-9d18ae8c-83
0.310
MAR-TRE-c317dd82-57
0.309
MAR-TRE-8190bb11-60
0.308
MAR-TRE-4f781e27-70
0.307
MAR-TRE-e82e6c98-30
0.307
MAR-TRE-92684b97-63
0.307
MAR-TRE-799db12b-56
0.306
MAR-TRE-8190bb11-52
0.306
MAR-TRE-c317dd82-7
0.306
MAR-TRE-799db12b-84
0.304
MAR-TRE-c317dd82-28
0.304
MAR-TRE-92684b97-38
0.304
MAR-TRE-be9ff7d2-13
0.304
MAR-TRE-e82e6c98-22
0.304
MAR-TRE-8190bb11-51
0.304
MAR-TRE-799db12b-91
0.303
MAR-TRE-92684b97-21
0.303
MAR-TRE-e82e6c98-47
0.303
MAR-TRE-be9ff7d2-77
0.302
MAR-TRE-9d18ae8c-23
0.302
MAR-TRE-799db12b-67
0.302
MAR-TRE-a9136c7b-77
0.301
MAR-TRE-8190bb11-30
0.301
MAR-TRE-92684b97-61
0.301
MAR-TRE-c317dd82-19
0.301
MAR-TRE-e82e6c98-16
0.300
MAR-TRE-a9136c7b-50
0.300
MAR-TRE-c317dd82-92
0.300
MAR-TRE-c317dd82-53
0.299
MAR-TRE-be9ff7d2-38
0.299
MAR-TRE-e82e6c98-26
0.299
MAR-TRE-92684b97-60
0.299
MAR-TRE-66ac689e-34
0.298
MAR-TRE-799db12b-52
0.298
MAR-TRE-e82e6c98-5
0.298
MAR-TRE-e82e6c98-95
0.298
MAR-TRE-be9ff7d2-74
0.297
MAR-TRE-4f781e27-15
0.296
MAR-TRE-66ac689e-26
0.296
MAR-TRE-799db12b-20
0.296
MAR-TRE-be9ff7d2-45
0.296
MAR-TRE-c317dd82-99
0.296
MAR-TRE-799db12b-38
0.296
MAR-TRE-92684b97-99
0.295
MAR-TRE-4f781e27-87
0.295
MAR-TRE-92684b97-26
0.295
MAR-TRE-92684b97-51
0.295
MAR-TRE-92684b97-59
0.295
MAR-TRE-799db12b-48
0.294
MAR-TRE-c317dd82-61
0.294