Molecular Properties | |
SMILES: | CN(C)c1nnc(C2CC(O)C(CNC(=O)c3cncnc3)C2)[nH]1 |
MW: | 331.18 |
Fraction sp3: | 0.53 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 119.92 |
cLogP: | -0.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-77
0.367
MAR-TRE-e82e6c98-82
0.367
MAR-TRE-8190bb11-46
0.364
MAR-TRE-be9ff7d2-81
0.348
MAR-TRE-c317dd82-60
0.348
MAR-TRE-e82e6c98-10
0.344
MAR-TRE-e82e6c98-84
0.344
MAR-TRE-e82e6c98-49
0.340
MAR-TRE-be9ff7d2-54
0.333
MAR-TRE-a9136c7b-83
0.333
MAR-TRE-c317dd82-6
0.326
MAR-TRE-92684b97-39
0.322
MAR-TRE-799db12b-67
0.320
MAR-TRE-c317dd82-5
0.319
MAR-TRE-66ac689e-67
0.319
MAR-TRE-c317dd82-20
0.317
MAR-TRE-e82e6c98-40
0.315
MAR-TRE-799db12b-24
0.315
MAR-TRE-4f781e27-36
0.315
MAR-TRE-4f781e27-76
0.315
MAR-TRE-c317dd82-33
0.312
MAR-TRE-be9ff7d2-51
0.312
MAR-TRE-e82e6c98-91
0.311
MAR-TRE-e82e6c98-22
0.310
MAR-TRE-e82e6c98-48
0.310
MAR-TRE-c317dd82-49
0.310
MAR-TRE-e82e6c98-54
0.310
MAR-TRE-92684b97-52
0.310
MAR-TRE-4f781e27-85
0.310
MAR-TRE-be9ff7d2-99
0.309
MAR-TRE-799db12b-27
0.308
MAR-TRE-be9ff7d2-14
0.308
MAR-TRE-e82e6c98-61
0.308
MAR-TRE-4f781e27-77
0.308
MAR-TRE-a9136c7b-54
0.307
MAR-TRE-be9ff7d2-95
0.305
MAR-TRE-92684b97-96
0.304
MAR-TRE-e82e6c98-2
0.304
MAR-TRE-e82e6c98-12
0.303
MAR-TRE-be9ff7d2-41
0.302
MAR-TRE-e82e6c98-76
0.302
MAR-TRE-799db12b-35
0.302
MAR-TRE-c317dd82-50
0.302
MAR-TRE-8190bb11-85
0.301
MAR-TRE-c317dd82-40
0.300
MAR-TRE-a9136c7b-85
0.299
MAR-TRE-66ac689e-59
0.299
MAR-TRE-be9ff7d2-37
0.298
MAR-TRE-c317dd82-74
0.298
MAR-TRE-8190bb11-95
0.297
MAR-TRE-e82e6c98-47
0.294
MAR-TRE-4f781e27-41
0.294
MAR-TRE-c317dd82-4
0.293
MAR-TRE-e82e6c98-8
0.293
MAR-TRE-799db12b-89
0.293
MAR-TRE-92684b97-62
0.293
MAR-TRE-4f781e27-8
0.293
MAR-TRE-be9ff7d2-5
0.293
MAR-TRE-4f781e27-22
0.292
MAR-TRE-8190bb11-69
0.292
MAR-TRE-92684b97-83
0.292
MAR-TRE-a9136c7b-72
0.291
MAR-TRE-be9ff7d2-11
0.291
MAR-TRE-e82e6c98-26
0.291
MAR-TRE-92684b97-74
0.291
MAR-TRE-4f781e27-65
0.290
MAR-TRE-799db12b-7
0.290
MAR-TRE-799db12b-52
0.290
MAR-TRE-9d18ae8c-90
0.290
MAR-TRE-be9ff7d2-80
0.290
MAR-TRE-c317dd82-88
0.289
MAR-TRE-be9ff7d2-62
0.289
MAR-TRE-e82e6c98-37
0.289
MAR-TRE-e82e6c98-62
0.289
MAR-TRE-c317dd82-83
0.289
MAR-TRE-e82e6c98-85
0.289
MAR-TRE-8190bb11-96
0.287
MAR-TRE-be9ff7d2-60
0.287
MAR-TRE-e82e6c98-36
0.287
MAR-TRE-92684b97-64
0.287
MAR-TRE-c317dd82-32
0.287
MAR-TRE-e82e6c98-35
0.286
MAR-TRE-c317dd82-11
0.286
MAR-TRE-a9136c7b-7
0.286
MAR-TRE-8190bb11-24
0.286
MAR-TRE-4f781e27-49
0.286
MAR-TRE-4f781e27-58
0.286
MAR-TRE-e82e6c98-56
0.286
MAR-TRE-e82e6c98-6
0.284
MAR-TRE-a9136c7b-80
0.284
MAR-TRE-c317dd82-82
0.284
MAR-TRE-be9ff7d2-1
0.284
MAR-TRE-c317dd82-46
0.284
MAR-TRE-be9ff7d2-67
0.284
MAR-TRE-c317dd82-51
0.283
MAR-TRE-be9ff7d2-52
0.283
MAR-TRE-e82e6c98-3
0.283
MAR-TRE-a9136c7b-24
0.283
MAR-TRE-66ac689e-20
0.283
MAR-TRE-9d18ae8c-53
0.283