Molecular Properties | |
SMILES: | O=C(NC1(c2nnn[nH]2)CCOC1)c1cncnc1 |
MW: | 261.1 |
Fraction sp3: | 0.4 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 118.57 |
cLogP: | -0.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-83
0.537
MAR-TRE-4f781e27-33
0.537
MAR-TRE-92684b97-19
0.507
MAR-TRE-66ac689e-5
0.493
MAR-TRE-be9ff7d2-66
0.452
MAR-TRE-799db12b-54
0.440
MAR-TRE-be9ff7d2-79
0.434
MAR-TRE-e82e6c98-66
0.432
MAR-TRE-8190bb11-20
0.421
MAR-TRE-e82e6c98-55
0.417
MAR-TRE-c317dd82-62
0.416
MAR-TRE-a9136c7b-97
0.410
MAR-TRE-a9136c7b-27
0.407
MAR-TRE-be9ff7d2-2
0.407
MAR-TRE-92684b97-95
0.405
MAR-TRE-e82e6c98-1
0.382
MAR-TRE-c317dd82-40
0.372
MAR-TRE-4f781e27-21
0.370
MAR-TRE-c317dd82-4
0.362
MAR-TRE-c317dd82-53
0.347
MAR-TRE-9d18ae8c-96
0.343
MAR-TRE-c317dd82-47
0.341
MAR-TRE-9d18ae8c-95
0.338
MAR-TRE-c317dd82-68
0.333
MAR-TRE-66ac689e-55
0.333
MAR-TRE-799db12b-58
0.333
MAR-TRE-92684b97-52
0.333
MAR-TRE-92684b97-87
0.333
MAR-TRE-9d18ae8c-39
0.333
MAR-TRE-92684b97-31
0.333
MAR-TRE-9d18ae8c-61
0.329
MAR-TRE-be9ff7d2-91
0.326
MAR-TRE-66ac689e-90
0.325
MAR-TRE-c317dd82-37
0.325
MAR-TRE-e82e6c98-41
0.324
MAR-TRE-c317dd82-77
0.321
MAR-TRE-c317dd82-86
0.321
MAR-TRE-9d18ae8c-72
0.320
MAR-TRE-9d18ae8c-76
0.320
MAR-TRE-8190bb11-2
0.319
MAR-TRE-8190bb11-39
0.318
MAR-TRE-c317dd82-25
0.318
MAR-TRE-9d18ae8c-32
0.318
MAR-TRE-9d18ae8c-33
0.316
MAR-TRE-9d18ae8c-42
0.316
MAR-TRE-92684b97-76
0.316
MAR-TRE-c317dd82-12
0.310
MAR-TRE-be9ff7d2-54
0.310
MAR-TRE-92684b97-73
0.310
MAR-TRE-c317dd82-8
0.308
MAR-TRE-9d18ae8c-31
0.308
MAR-TRE-92684b97-3
0.307
MAR-TRE-4f781e27-75
0.306
MAR-TRE-e82e6c98-79
0.305
MAR-TRE-e82e6c98-34
0.305
MAR-TRE-c317dd82-73
0.304
MAR-TRE-e82e6c98-71
0.304
MAR-TRE-a9136c7b-7
0.303
MAR-TRE-9d18ae8c-27
0.301
MAR-TRE-c317dd82-18
0.300
MAR-TRE-be9ff7d2-16
0.300
MAR-TRE-799db12b-62
0.299
MAR-TRE-c317dd82-96
0.299
MAR-TRE-c317dd82-31
0.298
MAR-TRE-be9ff7d2-12
0.298
MAR-TRE-9d18ae8c-68
0.298
MAR-TRE-be9ff7d2-35
0.298
MAR-TRE-92684b97-4
0.295
MAR-TRE-9d18ae8c-71
0.295
MAR-TRE-66ac689e-7
0.294
MAR-TRE-e82e6c98-99
0.294
MAR-TRE-92684b97-57
0.293
MAR-TRE-be9ff7d2-22
0.293
MAR-TRE-be9ff7d2-70
0.293
MAR-TRE-8190bb11-41
0.293
MAR-TRE-e82e6c98-36
0.291
MAR-TRE-8190bb11-33
0.289
MAR-TRE-e82e6c98-56
0.289
MAR-TRE-66ac689e-83
0.289
MAR-TRE-c317dd82-93
0.289
MAR-TRE-e82e6c98-44
0.289
MAR-TRE-c317dd82-34
0.289
MAR-TRE-4f781e27-53
0.289
MAR-TRE-a9136c7b-65
0.287
MAR-TRE-92684b97-63
0.286
MAR-TRE-a9136c7b-29
0.286
MAR-TRE-8190bb11-100
0.284
MAR-TRE-4f781e27-67
0.284
MAR-TRE-be9ff7d2-69
0.284
MAR-TRE-be9ff7d2-72
0.284
MAR-TRE-e82e6c98-81
0.284
MAR-TRE-c317dd82-41
0.284
MAR-TRE-4f781e27-35
0.282
MAR-TRE-c317dd82-90
0.282
MAR-TRE-4f781e27-7
0.282
MAR-TRE-4f781e27-22
0.280
MAR-TRE-c317dd82-100
0.280
MAR-TRE-be9ff7d2-29
0.279
MAR-TRE-be9ff7d2-81
0.279
MAR-TRE-4f781e27-88
0.279