Molecular Properties | |
SMILES: | COC1CNC(Cn2cc(C(=O)NC(=O)c3cncnc3)nn2)C1 |
MW: | 331.14 |
Fraction sp3: | 0.43 |
HBA: | 9 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 123.92 |
cLogP: | -0.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-e82e6c98-16
0.319
MAR-TRE-e82e6c98-94
0.318
MAR-TRE-c317dd82-99
0.315
MAR-TRE-e82e6c98-19
0.311
MAR-TRE-e82e6c98-7
0.307
MAR-TRE-c317dd82-54
0.304
MAR-TRE-e82e6c98-80
0.303
MAR-TRE-c317dd82-11
0.297
MAR-TRE-c317dd82-46
0.297
MAR-TRE-be9ff7d2-50
0.295
MAR-TRE-799db12b-77
0.295
MAR-TRE-be9ff7d2-72
0.293
MAR-TRE-e82e6c98-65
0.293
MAR-TRE-c317dd82-78
0.291
MAR-TRE-9d18ae8c-86
0.290
MAR-TRE-be9ff7d2-38
0.289
MAR-TRE-8190bb11-49
0.287
MAR-TRE-c317dd82-2
0.287
MAR-TRE-be9ff7d2-73
0.287
MAR-TRE-4f781e27-69
0.287
MAR-TRE-c317dd82-27
0.286
MAR-TRE-c317dd82-14
0.286
MAR-TRE-e82e6c98-59
0.286
MAR-TRE-c317dd82-61
0.286
MAR-TRE-be9ff7d2-25
0.286
MAR-TRE-e82e6c98-96
0.284
MAR-TRE-c317dd82-34
0.284
MAR-TRE-c317dd82-57
0.284
MAR-TRE-e82e6c98-41
0.284
MAR-TRE-e82e6c98-71
0.283
MAR-TRE-92684b97-77
0.283
MAR-TRE-be9ff7d2-7
0.282
MAR-TRE-be9ff7d2-52
0.282
MAR-TRE-be9ff7d2-94
0.281
MAR-TRE-e82e6c98-82
0.280
MAR-TRE-4f781e27-67
0.280
MAR-TRE-9d18ae8c-23
0.280
MAR-TRE-be9ff7d2-16
0.280
MAR-TRE-66ac689e-15
0.280
MAR-TRE-c317dd82-21
0.279
MAR-TRE-a9136c7b-13
0.279
MAR-TRE-92684b97-62
0.278
MAR-TRE-be9ff7d2-88
0.278
MAR-TRE-92684b97-66
0.278
MAR-TRE-66ac689e-52
0.277
MAR-TRE-66ac689e-93
0.277
MAR-TRE-92684b97-39
0.277
MAR-TRE-c317dd82-38
0.276
MAR-TRE-c317dd82-48
0.276
MAR-TRE-c317dd82-64
0.276
MAR-TRE-c317dd82-15
0.276
MAR-TRE-9d18ae8c-90
0.276
MAR-TRE-e82e6c98-72
0.275
MAR-TRE-be9ff7d2-62
0.275
MAR-TRE-8190bb11-81
0.274
MAR-TRE-e82e6c98-12
0.274
MAR-TRE-4f781e27-16
0.274
MAR-TRE-c317dd82-72
0.273
MAR-TRE-be9ff7d2-74
0.273
MAR-TRE-66ac689e-89
0.273
MAR-TRE-4f781e27-79
0.273
MAR-TRE-e82e6c98-49
0.272
MAR-TRE-a9136c7b-5
0.272
MAR-TRE-4f781e27-6
0.272
MAR-TRE-e82e6c98-55
0.272
MAR-TRE-c317dd82-36
0.271
MAR-TRE-66ac689e-11
0.270
MAR-TRE-4f781e27-18
0.270
MAR-TRE-4f781e27-20
0.270
MAR-TRE-be9ff7d2-71
0.270
MAR-TRE-be9ff7d2-87
0.269
MAR-TRE-66ac689e-38
0.269
MAR-TRE-be9ff7d2-83
0.269
MAR-TRE-c317dd82-73
0.269
MAR-TRE-a9136c7b-49
0.268
MAR-TRE-4f781e27-37
0.268
MAR-TRE-8190bb11-25
0.268
MAR-TRE-92684b97-14
0.268
MAR-TRE-c317dd82-69
0.267
MAR-TRE-e82e6c98-17
0.267
MAR-TRE-4f781e27-26
0.267
MAR-TRE-9d18ae8c-76
0.267
MAR-TRE-c317dd82-65
0.267
MAR-TRE-be9ff7d2-36
0.267
MAR-TRE-c317dd82-20
0.266
MAR-TRE-a9136c7b-72
0.266
MAR-TRE-be9ff7d2-44
0.266
MAR-TRE-8190bb11-78
0.266
MAR-TRE-92684b97-71
0.266
MAR-TRE-92684b97-38
0.266
MAR-TRE-c317dd82-19
0.265
MAR-TRE-be9ff7d2-30
0.265
MAR-TRE-8190bb11-87
0.265
MAR-TRE-4f781e27-35
0.265
MAR-TRE-92684b97-79
0.265
MAR-TRE-92684b97-29
0.265
MAR-TRE-a9136c7b-77
0.265
MAR-TRE-c317dd82-60
0.265
MAR-TRE-be9ff7d2-95
0.265
MAR-TRE-c317dd82-96
0.264