Molecular Properties | |
SMILES: | Cc1nc2c(C(=O)NC(=O)c3cncnc3)cnn2c(C)c1CCC(=O)O |
MW: | 368.12 |
Fraction sp3: | 0.24 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 139.44 |
cLogP: | 0.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-a9136c7b-50
0.529
MAR-TRE-be9ff7d2-50
0.412
MAR-TRE-c317dd82-21
0.338
MAR-TRE-e82e6c98-72
0.329
MAR-TRE-be9ff7d2-40
0.326
MAR-TRE-66ac689e-38
0.322
MAR-TRE-e82e6c98-19
0.322
MAR-TRE-92684b97-66
0.318
MAR-TRE-e82e6c98-7
0.318
MAR-TRE-c317dd82-19
0.315
MAR-TRE-be9ff7d2-31
0.314
MAR-TRE-9d18ae8c-89
0.310
MAR-TRE-e82e6c98-75
0.303
MAR-TRE-be9ff7d2-38
0.299
MAR-TRE-799db12b-50
0.293
MAR-TRE-c317dd82-66
0.292
MAR-TRE-e82e6c98-100
0.289
MAR-TRE-66ac689e-15
0.289
MAR-TRE-be9ff7d2-85
0.289
MAR-TRE-66ac689e-9
0.287
MAR-TRE-c317dd82-52
0.286
MAR-TRE-92684b97-78
0.286
MAR-TRE-9d18ae8c-97
0.286
MAR-TRE-e82e6c98-11
0.286
MAR-TRE-be9ff7d2-11
0.284
MAR-TRE-e82e6c98-29
0.283
MAR-TRE-c317dd82-99
0.283
MAR-TRE-be9ff7d2-74
0.282
MAR-TRE-e82e6c98-42
0.282
MAR-TRE-92684b97-67
0.281
MAR-TRE-92684b97-41
0.281
MAR-TRE-c317dd82-36
0.280
MAR-TRE-9d18ae8c-47
0.280
MAR-TRE-c317dd82-16
0.278
MAR-TRE-4f781e27-57
0.278
MAR-TRE-66ac689e-18
0.278
MAR-TRE-e82e6c98-60
0.277
MAR-TRE-be9ff7d2-94
0.276
MAR-TRE-e82e6c98-68
0.276
MAR-TRE-be9ff7d2-36
0.276
MAR-TRE-c317dd82-78
0.275
MAR-TRE-e82e6c98-52
0.274
MAR-TRE-be9ff7d2-14
0.274
MAR-TRE-92684b97-56
0.273
MAR-TRE-92684b97-86
0.272
MAR-TRE-be9ff7d2-98
0.272
MAR-TRE-c317dd82-15
0.271
MAR-TRE-c317dd82-2
0.270
MAR-TRE-4f781e27-39
0.270
MAR-TRE-92684b97-74
0.270
MAR-TRE-e82e6c98-26
0.270
MAR-TRE-e82e6c98-80
0.270
MAR-TRE-66ac689e-57
0.270
MAR-TRE-4f781e27-72
0.270
MAR-TRE-4f781e27-16
0.269
MAR-TRE-be9ff7d2-15
0.269
MAR-TRE-c317dd82-97
0.268
MAR-TRE-be9ff7d2-82
0.268
MAR-TRE-a9136c7b-100
0.268
MAR-TRE-9d18ae8c-83
0.268
MAR-TRE-e82e6c98-94
0.267
MAR-TRE-be9ff7d2-47
0.267
MAR-TRE-799db12b-6
0.267
MAR-TRE-e82e6c98-23
0.267
MAR-TRE-4f781e27-99
0.267
MAR-TRE-be9ff7d2-25
0.267
MAR-TRE-be9ff7d2-32
0.266
MAR-TRE-c317dd82-93
0.266
MAR-TRE-c317dd82-26
0.265
MAR-TRE-8190bb11-52
0.265
MAR-TRE-c317dd82-84
0.265
MAR-TRE-4f781e27-78
0.264
MAR-TRE-be9ff7d2-83
0.264
MAR-TRE-a9136c7b-56
0.264
MAR-TRE-66ac689e-59
0.264
MAR-TRE-4f781e27-29
0.264
MAR-TRE-9d18ae8c-63
0.264
MAR-TRE-c317dd82-39
0.263
MAR-TRE-e82e6c98-17
0.263
MAR-TRE-a9136c7b-72
0.262
MAR-TRE-e82e6c98-30
0.261
MAR-TRE-9d18ae8c-59
0.261
MAR-TRE-e82e6c98-27
0.261
MAR-TRE-8190bb11-51
0.261
MAR-TRE-92684b97-38
0.261
MAR-TRE-be9ff7d2-44
0.261
MAR-TRE-a9136c7b-77
0.260
MAR-TRE-a9136c7b-93
0.260
MAR-TRE-4f781e27-82
0.260
MAR-TRE-e82e6c98-32
0.260
MAR-TRE-4f781e27-98
0.259
MAR-TRE-be9ff7d2-56
0.259
MAR-TRE-92684b97-21
0.258
MAR-TRE-8190bb11-69
0.258
MAR-TRE-9d18ae8c-48
0.258
MAR-TRE-92684b97-34
0.258
MAR-TRE-92684b97-69
0.258
MAR-TRE-c317dd82-54
0.258
MAR-TRE-799db12b-94
0.258
MAR-TRE-c317dd82-64
0.258