Molecular Properties | |
SMILES: | Cc1nc2c(C(=O)NC(=O)c3cncnc3)ncn2c(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-18
0.529
MAR-TRE-be9ff7d2-50
0.356
MAR-TRE-9d18ae8c-89
0.333
MAR-TRE-c317dd82-21
0.329
MAR-TRE-c317dd82-19
0.323
MAR-TRE-e82e6c98-68
0.314
MAR-TRE-e82e6c98-75
0.311
MAR-TRE-92684b97-66
0.310
MAR-TRE-e82e6c98-7
0.310
MAR-TRE-e82e6c98-72
0.307
MAR-TRE-c317dd82-36
0.301
MAR-TRE-799db12b-50
0.301
MAR-TRE-e82e6c98-19
0.300
MAR-TRE-66ac689e-38
0.300
MAR-TRE-be9ff7d2-16
0.297
MAR-TRE-be9ff7d2-44
0.297
MAR-TRE-be9ff7d2-85
0.296
MAR-TRE-c317dd82-52
0.293
MAR-TRE-be9ff7d2-6
0.290
MAR-TRE-e82e6c98-29
0.290
MAR-TRE-e82e6c98-42
0.288
MAR-TRE-c317dd82-84
0.286
MAR-TRE-66ac689e-18
0.286
MAR-TRE-c317dd82-66
0.286
MAR-TRE-be9ff7d2-83
0.286
MAR-TRE-c317dd82-39
0.284
MAR-TRE-e82e6c98-100
0.283
MAR-TRE-66ac689e-15
0.283
MAR-TRE-e82e6c98-52
0.281
MAR-TRE-66ac689e-9
0.281
MAR-TRE-c317dd82-96
0.281
MAR-TRE-e82e6c98-11
0.280
MAR-TRE-92684b97-78
0.279
MAR-TRE-be9ff7d2-11
0.278
MAR-TRE-92684b97-74
0.278
MAR-TRE-4f781e27-72
0.278
MAR-TRE-be9ff7d2-31
0.278
MAR-TRE-c317dd82-2
0.277
MAR-TRE-c317dd82-99
0.277
MAR-TRE-4f781e27-15
0.277
MAR-TRE-be9ff7d2-40
0.277
MAR-TRE-be9ff7d2-15
0.277
MAR-TRE-66ac689e-89
0.276
MAR-TRE-9d18ae8c-50
0.276
MAR-TRE-a9136c7b-100
0.276
MAR-TRE-e82e6c98-23
0.275
MAR-TRE-799db12b-6
0.275
MAR-TRE-9d18ae8c-47
0.274
MAR-TRE-be9ff7d2-93
0.274
MAR-TRE-4f781e27-57
0.273
MAR-TRE-a9136c7b-56
0.272
MAR-TRE-9d18ae8c-63
0.272
MAR-TRE-66ac689e-59
0.272
MAR-TRE-799db12b-80
0.271
MAR-TRE-e82e6c98-17
0.270
MAR-TRE-be9ff7d2-94
0.270
MAR-TRE-c317dd82-78
0.269
MAR-TRE-799db12b-47
0.269
MAR-TRE-a9136c7b-41
0.268
MAR-TRE-8190bb11-7
0.268
MAR-TRE-c317dd82-13
0.267
MAR-TRE-c317dd82-95
0.267
MAR-TRE-4f781e27-82
0.267
MAR-TRE-92684b97-56
0.267
MAR-TRE-9d18ae8c-48
0.266
MAR-TRE-9d18ae8c-97
0.266
MAR-TRE-8190bb11-69
0.266
MAR-TRE-c317dd82-15
0.265
MAR-TRE-e82e6c98-5
0.265
MAR-TRE-c317dd82-27
0.264
MAR-TRE-e82e6c98-26
0.264
MAR-TRE-e82e6c98-80
0.264
MAR-TRE-66ac689e-23
0.264
MAR-TRE-66ac689e-57
0.264
MAR-TRE-be9ff7d2-38
0.264
MAR-TRE-799db12b-63
0.263
MAR-TRE-8190bb11-82
0.263
MAR-TRE-be9ff7d2-45
0.263
MAR-TRE-be9ff7d2-82
0.263
MAR-TRE-92684b97-67
0.263
MAR-TRE-9d18ae8c-83
0.263
MAR-TRE-be9ff7d2-47
0.261
MAR-TRE-be9ff7d2-74
0.261
MAR-TRE-e82e6c98-94
0.261
MAR-TRE-92684b97-40
0.261
MAR-TRE-be9ff7d2-25
0.261
MAR-TRE-66ac689e-88
0.261
MAR-TRE-c317dd82-57
0.260
MAR-TRE-a9136c7b-55
0.260
MAR-TRE-be9ff7d2-32
0.260
MAR-TRE-c317dd82-7
0.260
MAR-TRE-c317dd82-26
0.260
MAR-TRE-a9136c7b-69
0.260
MAR-TRE-8190bb11-52
0.260
MAR-TRE-4f781e27-48
0.260
MAR-TRE-c317dd82-16
0.260
MAR-TRE-e82e6c98-63
0.258
MAR-TRE-4f781e27-49
0.258
MAR-TRE-4f781e27-78
0.258
MAR-TRE-be9ff7d2-1
0.258