Molecular Properties | |
SMILES: | O=C(NCc1nnc2n1CCCCC2)c1cncnc1 |
MW: | 272.14 |
Fraction sp3: | 0.46 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.59 |
cLogP: | 0.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-8
0.554
MAR-TRE-4f781e27-38
0.519
MAR-TRE-c317dd82-83
0.494
MAR-TRE-8190bb11-61
0.494
MAR-TRE-be9ff7d2-92
0.468
MAR-TRE-e82e6c98-64
0.450
MAR-TRE-9d18ae8c-84
0.443
MAR-TRE-799db12b-70
0.443
MAR-TRE-799db12b-11
0.429
MAR-TRE-be9ff7d2-26
0.427
MAR-TRE-799db12b-98
0.407
MAR-TRE-e82e6c98-93
0.402
MAR-TRE-be9ff7d2-89
0.390
MAR-TRE-66ac689e-66
0.390
MAR-TRE-c317dd82-74
0.388
MAR-TRE-9d18ae8c-65
0.386
MAR-TRE-66ac689e-21
0.386
MAR-TRE-8190bb11-73
0.386
MAR-TRE-be9ff7d2-60
0.376
MAR-TRE-66ac689e-47
0.372
MAR-TRE-e82e6c98-97
0.372
MAR-TRE-4f781e27-99
0.367
MAR-TRE-9d18ae8c-89
0.367
MAR-TRE-9d18ae8c-16
0.367
MAR-TRE-66ac689e-26
0.366
MAR-TRE-be9ff7d2-81
0.365
MAR-TRE-799db12b-52
0.365
MAR-TRE-66ac689e-29
0.365
MAR-TRE-4f781e27-88
0.365
MAR-TRE-799db12b-69
0.364
MAR-TRE-e82e6c98-68
0.364
MAR-TRE-92684b97-78
0.360
MAR-TRE-799db12b-65
0.360
MAR-TRE-9d18ae8c-34
0.360
MAR-TRE-e82e6c98-47
0.359
MAR-TRE-8190bb11-99
0.359
MAR-TRE-4f781e27-92
0.357
MAR-TRE-799db12b-72
0.356
MAR-TRE-9d18ae8c-55
0.356
MAR-TRE-be9ff7d2-11
0.354
MAR-TRE-92684b97-74
0.354
MAR-TRE-4f781e27-7
0.353
MAR-TRE-799db12b-89
0.353
MAR-TRE-a9136c7b-17
0.352
MAR-TRE-be9ff7d2-99
0.352
MAR-TRE-be9ff7d2-67
0.351
MAR-TRE-8190bb11-24
0.351
MAR-TRE-8190bb11-85
0.351
MAR-TRE-e82e6c98-12
0.349
MAR-TRE-8190bb11-50
0.346
MAR-TRE-be9ff7d2-1
0.346
MAR-TRE-e82e6c98-35
0.345
MAR-TRE-8190bb11-33
0.345
MAR-TRE-799db12b-48
0.345
MAR-TRE-799db12b-14
0.344
MAR-TRE-4f781e27-85
0.342
MAR-TRE-8190bb11-13
0.342
MAR-TRE-92684b97-52
0.342
MAR-TRE-e82e6c98-22
0.341
MAR-TRE-e82e6c98-60
0.341
MAR-TRE-e82e6c98-91
0.341
MAR-TRE-66ac689e-20
0.341
MAR-TRE-e82e6c98-26
0.338
MAR-TRE-8190bb11-42
0.338
MAR-TRE-e82e6c98-16
0.337
MAR-TRE-8190bb11-86
0.337
MAR-TRE-8190bb11-9
0.337
MAR-TRE-be9ff7d2-59
0.337
MAR-TRE-a9136c7b-83
0.333
MAR-TRE-799db12b-35
0.333
MAR-TRE-e82e6c98-5
0.333
MAR-TRE-c317dd82-81
0.333
MAR-TRE-a9136c7b-31
0.330
MAR-TRE-e82e6c98-25
0.330
MAR-TRE-e82e6c98-85
0.330
MAR-TRE-4f781e27-75
0.330
MAR-TRE-92684b97-44
0.329
MAR-TRE-92684b97-75
0.329
MAR-TRE-c317dd82-75
0.326
MAR-TRE-a9136c7b-5
0.326
MAR-TRE-c317dd82-11
0.326
MAR-TRE-4f781e27-48
0.326
MAR-TRE-e82e6c98-6
0.326
MAR-TRE-c317dd82-55
0.325
MAR-TRE-92684b97-11
0.325
MAR-TRE-be9ff7d2-90
0.325
MAR-TRE-be9ff7d2-14
0.322
MAR-TRE-66ac689e-78
0.322
MAR-TRE-be9ff7d2-17
0.321
MAR-TRE-66ac689e-12
0.321
MAR-TRE-4f781e27-28
0.321
MAR-TRE-e82e6c98-57
0.321
MAR-TRE-a9136c7b-14
0.320
MAR-TRE-4f781e27-8
0.319
MAR-TRE-8190bb11-8
0.319
MAR-TRE-799db12b-51
0.319
MAR-TRE-799db12b-7
0.318
MAR-TRE-66ac689e-34
0.318
MAR-TRE-8190bb11-46
0.318
MAR-TRE-9d18ae8c-81
0.318