Molecular Properties | |
SMILES: | CN(C)c1cnc(NC2CCNCC2C(=O)NC(=O)c2cncnc2)cn1 |
MW: | 370.19 |
Fraction sp3: | 0.41 |
HBA: | 9 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 125.03 |
cLogP: | -0.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-e82e6c98-94
0.407
MAR-TRE-e82e6c98-59
0.407
MAR-TRE-c317dd82-15
0.396
MAR-TRE-c317dd82-9
0.386
MAR-TRE-c317dd82-54
0.386
MAR-TRE-c317dd82-57
0.378
MAR-TRE-c317dd82-72
0.376
MAR-TRE-c317dd82-61
0.376
MAR-TRE-92684b97-38
0.375
MAR-TRE-c317dd82-64
0.366
MAR-TRE-c317dd82-93
0.363
MAR-TRE-be9ff7d2-74
0.357
MAR-TRE-8190bb11-79
0.355
MAR-TRE-be9ff7d2-87
0.354
MAR-TRE-c317dd82-99
0.352
MAR-TRE-e82e6c98-17
0.340
MAR-TRE-a9136c7b-44
0.333
MAR-TRE-c317dd82-30
0.333
MAR-TRE-66ac689e-96
0.326
MAR-TRE-92684b97-79
0.312
MAR-TRE-92684b97-61
0.312
MAR-TRE-be9ff7d2-71
0.303
MAR-TRE-9d18ae8c-23
0.300
MAR-TRE-92684b97-39
0.298
MAR-TRE-92684b97-57
0.295
MAR-TRE-e82e6c98-81
0.287
MAR-TRE-4f781e27-64
0.287
MAR-TRE-92684b97-62
0.286
MAR-TRE-4f781e27-41
0.286
MAR-TRE-4f781e27-21
0.286
MAR-TRE-a9136c7b-72
0.284
MAR-TRE-c317dd82-17
0.282
MAR-TRE-be9ff7d2-75
0.279
MAR-TRE-c317dd82-98
0.278
MAR-TRE-a9136c7b-96
0.277
MAR-TRE-be9ff7d2-69
0.274
MAR-TRE-92684b97-52
0.272
MAR-TRE-c317dd82-71
0.270
MAR-TRE-e82e6c98-40
0.267
MAR-TRE-e82e6c98-96
0.267
MAR-TRE-8190bb11-65
0.266
MAR-TRE-be9ff7d2-41
0.266
MAR-TRE-c317dd82-74
0.265
MAR-TRE-be9ff7d2-52
0.264
MAR-TRE-4f781e27-33
0.263
MAR-TRE-e82e6c98-28
0.263
MAR-TRE-a9136c7b-99
0.262
MAR-TRE-9d18ae8c-96
0.261
MAR-TRE-9d18ae8c-76
0.261
MAR-TRE-be9ff7d2-94
0.261
MAR-TRE-be9ff7d2-42
0.260
MAR-TRE-c317dd82-87
0.260
MAR-TRE-be9ff7d2-44
0.260
MAR-TRE-9d18ae8c-70
0.260
MAR-TRE-c317dd82-4
0.260
MAR-TRE-be9ff7d2-14
0.260
MAR-TRE-799db12b-13
0.260
MAR-TRE-c317dd82-21
0.258
MAR-TRE-be9ff7d2-88
0.258
MAR-TRE-e82e6c98-7
0.258
MAR-TRE-92684b97-83
0.258
MAR-TRE-4f781e27-31
0.258
MAR-TRE-e82e6c98-2
0.257
MAR-TRE-e82e6c98-98
0.257
MAR-TRE-c317dd82-2
0.257
MAR-TRE-66ac689e-60
0.257
MAR-TRE-9d18ae8c-71
0.255
MAR-TRE-be9ff7d2-38
0.255
MAR-TRE-e82e6c98-72
0.255
MAR-TRE-66ac689e-86
0.255
MAR-TRE-e82e6c98-66
0.255
MAR-TRE-8190bb11-41
0.255
MAR-TRE-e82e6c98-78
0.255
MAR-TRE-c317dd82-49
0.255
MAR-TRE-c317dd82-88
0.253
MAR-TRE-be9ff7d2-25
0.253
MAR-TRE-92684b97-19
0.253
MAR-TRE-e82e6c98-44
0.253
MAR-TRE-c317dd82-34
0.253
MAR-TRE-c317dd82-40
0.253
MAR-TRE-66ac689e-2
0.253
MAR-TRE-9d18ae8c-32
0.252
MAR-TRE-4f781e27-18
0.252
MAR-TRE-9d18ae8c-93
0.250
MAR-TRE-c317dd82-82
0.250
MAR-TRE-e82e6c98-83
0.250
MAR-TRE-66ac689e-55
0.250
MAR-TRE-c317dd82-6
0.250
MAR-TRE-c317dd82-73
0.250
MAR-TRE-c317dd82-78
0.250
MAR-TRE-c317dd82-89
0.250
MAR-TRE-a9136c7b-95
0.250
MAR-TRE-66ac689e-38
0.250
MAR-TRE-e82e6c98-32
0.248
MAR-TRE-c317dd82-5
0.248
MAR-TRE-be9ff7d2-53
0.248
MAR-TRE-4f781e27-77
0.248
MAR-TRE-9d18ae8c-42
0.247
MAR-TRE-be9ff7d2-72
0.247
MAR-TRE-e82e6c98-65
0.247