Molecular Properties | |
SMILES: | O=C(NCc1noc2c1CCCCC2)c1cncnc1 |
MW: | 272.13 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 80.91 |
cLogP: | 1.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-55
0.568
MAR-TRE-4f781e27-65
0.443
MAR-TRE-e82e6c98-93
0.430
MAR-TRE-e82e6c98-95
0.425
MAR-TRE-799db12b-98
0.417
MAR-TRE-8190bb11-50
0.390
MAR-TRE-8190bb11-24
0.378
MAR-TRE-4f781e27-99
0.377
MAR-TRE-4f781e27-88
0.373
MAR-TRE-92684b97-78
0.370
MAR-TRE-799db12b-59
0.369
MAR-TRE-92684b97-11
0.367
MAR-TRE-8190bb11-88
0.361
MAR-TRE-66ac689e-21
0.361
MAR-TRE-be9ff7d2-67
0.361
MAR-TRE-8190bb11-85
0.360
MAR-TRE-be9ff7d2-81
0.357
MAR-TRE-799db12b-7
0.357
MAR-TRE-799db12b-11
0.356
MAR-TRE-799db12b-18
0.356
MAR-TRE-8190bb11-13
0.351
MAR-TRE-e82e6c98-91
0.349
MAR-TRE-be9ff7d2-89
0.349
MAR-TRE-9d18ae8c-65
0.348
MAR-TRE-66ac689e-69
0.348
MAR-TRE-be9ff7d2-11
0.346
MAR-TRE-92684b97-74
0.346
MAR-TRE-66ac689e-12
0.346
MAR-TRE-a9136c7b-54
0.346
MAR-TRE-e82e6c98-8
0.345
MAR-TRE-8190bb11-73
0.345
MAR-TRE-a9136c7b-37
0.344
MAR-TRE-8190bb11-9
0.344
MAR-TRE-9d18ae8c-16
0.344
MAR-TRE-799db12b-35
0.342
MAR-TRE-9d18ae8c-89
0.342
MAR-TRE-66ac689e-26
0.341
MAR-TRE-e82e6c98-12
0.341
MAR-TRE-66ac689e-29
0.341
MAR-TRE-c317dd82-81
0.341
MAR-TRE-be9ff7d2-92
0.341
MAR-TRE-e82e6c98-64
0.341
MAR-TRE-799db12b-69
0.341
MAR-TRE-4f781e27-11
0.340
MAR-TRE-e82e6c98-68
0.338
MAR-TRE-be9ff7d2-1
0.338
MAR-TRE-4f781e27-75
0.337
MAR-TRE-be9ff7d2-60
0.337
MAR-TRE-92684b97-64
0.337
MAR-TRE-799db12b-65
0.337
MAR-TRE-c317dd82-83
0.337
MAR-TRE-9d18ae8c-34
0.337
MAR-TRE-66ac689e-20
0.333
MAR-TRE-e82e6c98-67
0.333
MAR-TRE-66ac689e-47
0.333
MAR-TRE-4f781e27-92
0.333
MAR-TRE-be9ff7d2-90
0.333
MAR-TRE-e82e6c98-6
0.333
MAR-TRE-92684b97-95
0.333
MAR-TRE-8190bb11-83
0.330
MAR-TRE-c317dd82-4
0.329
MAR-TRE-4f781e27-7
0.329
MAR-TRE-e82e6c98-18
0.329
MAR-TRE-8190bb11-86
0.329
MAR-TRE-be9ff7d2-17
0.329
MAR-TRE-8190bb11-42
0.329
MAR-TRE-e82e6c98-57
0.329
MAR-TRE-799db12b-52
0.326
MAR-TRE-be9ff7d2-34
0.325
MAR-TRE-8190bb11-81
0.325
MAR-TRE-8190bb11-82
0.325
MAR-TRE-9d18ae8c-74
0.325
MAR-TRE-e82e6c98-23
0.325
MAR-TRE-8190bb11-99
0.323
MAR-TRE-66ac689e-54
0.322
MAR-TRE-be9ff7d2-18
0.321
MAR-TRE-c317dd82-40
0.321
MAR-TRE-4f781e27-100
0.321
MAR-TRE-92684b97-44
0.321
MAR-TRE-e82e6c98-35
0.321
MAR-TRE-c317dd82-75
0.319
MAR-TRE-c317dd82-11
0.319
MAR-TRE-66ac689e-33
0.318
MAR-TRE-e82e6c98-97
0.318
MAR-TRE-4f781e27-48
0.318
MAR-TRE-9d18ae8c-36
0.318
MAR-TRE-799db12b-72
0.318
MAR-TRE-c317dd82-74
0.318
MAR-TRE-92684b97-81
0.318
MAR-TRE-e82e6c98-60
0.318
MAR-TRE-a9136c7b-24
0.318
MAR-TRE-c317dd82-55
0.317
MAR-TRE-e82e6c98-48
0.317
MAR-TRE-4f781e27-85
0.316
MAR-TRE-e82e6c98-47
0.316
MAR-TRE-be9ff7d2-59
0.316
MAR-TRE-a9136c7b-17
0.315
MAR-TRE-92684b97-33
0.315
MAR-TRE-4f781e27-77
0.314
MAR-TRE-799db12b-27
0.314