Molecular Properties | |
SMILES: | O=C(NC1COCC1n1cc(C2CC2)nn1)c1cncnc1 |
MW: | 300.13 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.82 |
cLogP: | 0.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-22
0.589
MAR-TRE-e82e6c98-44
0.581
MAR-TRE-c317dd82-18
0.500
MAR-TRE-c317dd82-77
0.410
MAR-TRE-8190bb11-41
0.398
MAR-TRE-799db12b-71
0.393
MAR-TRE-be9ff7d2-69
0.390
MAR-TRE-c317dd82-11
0.385
MAR-TRE-e82e6c98-81
0.373
MAR-TRE-e82e6c98-28
0.372
MAR-TRE-92684b97-57
0.372
MAR-TRE-be9ff7d2-52
0.366
MAR-TRE-be9ff7d2-60
0.360
MAR-TRE-be9ff7d2-30
0.352
MAR-TRE-92684b97-39
0.337
MAR-TRE-c317dd82-46
0.329
MAR-TRE-9d18ae8c-93
0.329
MAR-TRE-a9136c7b-96
0.326
MAR-TRE-c317dd82-33
0.326
MAR-TRE-e82e6c98-53
0.326
MAR-TRE-e82e6c98-65
0.326
MAR-TRE-92684b97-62
0.322
MAR-TRE-c317dd82-65
0.320
MAR-TRE-be9ff7d2-81
0.319
MAR-TRE-c317dd82-34
0.315
MAR-TRE-a9136c7b-7
0.312
MAR-TRE-be9ff7d2-72
0.310
MAR-TRE-799db12b-29
0.307
MAR-TRE-c317dd82-88
0.305
MAR-TRE-e82e6c98-99
0.304
MAR-TRE-8190bb11-56
0.303
MAR-TRE-c317dd82-8
0.302
MAR-TRE-e82e6c98-86
0.302
MAR-TRE-c317dd82-14
0.301
MAR-TRE-e82e6c98-56
0.300
MAR-TRE-8190bb11-2
0.300
MAR-TRE-be9ff7d2-75
0.299
MAR-TRE-799db12b-92
0.299
MAR-TRE-c317dd82-73
0.299
MAR-TRE-a9136c7b-47
0.298
MAR-TRE-be9ff7d2-42
0.295
MAR-TRE-e82e6c98-48
0.295
MAR-TRE-a9136c7b-95
0.295
MAR-TRE-92684b97-52
0.294
MAR-TRE-799db12b-89
0.293
MAR-TRE-c317dd82-67
0.293
MAR-TRE-92684b97-7
0.292
MAR-TRE-be9ff7d2-53
0.292
MAR-TRE-e82e6c98-33
0.292
MAR-TRE-a9136c7b-97
0.290
MAR-TRE-c317dd82-44
0.290
MAR-TRE-92684b97-28
0.290
MAR-TRE-9d18ae8c-38
0.290
MAR-TRE-e82e6c98-21
0.290
MAR-TRE-92684b97-20
0.289
MAR-TRE-92684b97-3
0.289
MAR-TRE-a9136c7b-86
0.289
MAR-TRE-a9136c7b-2
0.289
MAR-TRE-4f781e27-79
0.287
MAR-TRE-e82e6c98-78
0.287
MAR-TRE-c317dd82-40
0.286
MAR-TRE-e82e6c98-35
0.286
MAR-TRE-a9136c7b-85
0.286
MAR-TRE-4f781e27-18
0.284
MAR-TRE-c317dd82-82
0.284
MAR-TRE-c317dd82-31
0.282
MAR-TRE-be9ff7d2-8
0.281
MAR-TRE-c317dd82-69
0.281
MAR-TRE-c317dd82-89
0.281
MAR-TRE-92684b97-70
0.280
MAR-TRE-a9136c7b-63
0.280
MAR-TRE-c317dd82-4
0.280
MAR-TRE-be9ff7d2-12
0.280
MAR-TRE-be9ff7d2-35
0.280
MAR-TRE-4f781e27-41
0.279
MAR-TRE-e82e6c98-16
0.278
MAR-TRE-a9136c7b-89
0.277
MAR-TRE-799db12b-52
0.277
MAR-TRE-be9ff7d2-29
0.277
MAR-TRE-c317dd82-80
0.277
MAR-TRE-c317dd82-37
0.277
MAR-TRE-be9ff7d2-20
0.276
MAR-TRE-be9ff7d2-38
0.276
MAR-TRE-be9ff7d2-62
0.276
MAR-TRE-4f781e27-90
0.275
MAR-TRE-c317dd82-32
0.275
MAR-TRE-be9ff7d2-74
0.274
MAR-TRE-e82e6c98-10
0.274
MAR-TRE-a9136c7b-64
0.274
MAR-TRE-be9ff7d2-25
0.273
MAR-TRE-e82e6c98-55
0.273
MAR-TRE-9d18ae8c-78
0.273
MAR-TRE-c317dd82-49
0.272
MAR-TRE-e82e6c98-79
0.272
MAR-TRE-c317dd82-86
0.272
MAR-TRE-c317dd82-93
0.272
MAR-TRE-c317dd82-25
0.271
MAR-TRE-8190bb11-75
0.270
MAR-TRE-e82e6c98-69
0.270
MAR-TRE-c317dd82-6
0.269