Molecular Properties | |
SMILES: | O=C(NC(C(=O)O)C1=CCC2CC2C1)c1cncnc1 |
MW: | 273.11 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 1.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
isolated alkene
MAR-TRE-799db12b-95
0.448
MAR-TRE-c317dd82-41
0.446
MAR-TRE-92684b97-50
0.435
MAR-TRE-8190bb11-28
0.429
MAR-TRE-8190bb11-91
0.426
MAR-TRE-9d18ae8c-28
0.425
MAR-TRE-e82e6c98-30
0.420
MAR-TRE-92684b97-27
0.414
MAR-TRE-8190bb11-71
0.414
MAR-TRE-8190bb11-59
0.408
MAR-TRE-92684b97-17
0.408
MAR-TRE-92684b97-35
0.408
MAR-TRE-66ac689e-93
0.405
MAR-TRE-92684b97-80
0.403
MAR-TRE-a9136c7b-66
0.403
MAR-TRE-9d18ae8c-64
0.403
MAR-TRE-8190bb11-10
0.400
MAR-TRE-799db12b-61
0.397
MAR-TRE-799db12b-23
0.397
MAR-TRE-799db12b-96
0.397
MAR-TRE-8190bb11-54
0.397
MAR-TRE-a9136c7b-36
0.392
MAR-TRE-799db12b-79
0.382
MAR-TRE-be9ff7d2-86
0.377
MAR-TRE-9d18ae8c-8
0.377
MAR-TRE-8190bb11-25
0.372
MAR-TRE-4f781e27-86
0.355
MAR-TRE-be9ff7d2-97
0.354
MAR-TRE-9d18ae8c-85
0.347
MAR-TRE-66ac689e-61
0.346
MAR-TRE-9d18ae8c-60
0.346
MAR-TRE-9d18ae8c-59
0.342
MAR-TRE-4f781e27-24
0.342
MAR-TRE-e82e6c98-79
0.342
MAR-TRE-66ac689e-71
0.342
MAR-TRE-66ac689e-60
0.341
MAR-TRE-c317dd82-96
0.338
MAR-TRE-4f781e27-40
0.338
MAR-TRE-799db12b-55
0.333
MAR-TRE-4f781e27-14
0.333
MAR-TRE-be9ff7d2-47
0.333
MAR-TRE-8190bb11-48
0.333
MAR-TRE-4f781e27-39
0.333
MAR-TRE-c317dd82-71
0.329
MAR-TRE-8190bb11-14
0.329
MAR-TRE-8190bb11-26
0.329
MAR-TRE-a9136c7b-91
0.329
MAR-TRE-8190bb11-56
0.329
MAR-TRE-4f781e27-45
0.329
MAR-TRE-92684b97-41
0.329
MAR-TRE-92684b97-51
0.329
MAR-TRE-92684b97-99
0.329
MAR-TRE-e82e6c98-70
0.329
MAR-TRE-e82e6c98-88
0.325
MAR-TRE-66ac689e-84
0.325
MAR-TRE-be9ff7d2-93
0.325
MAR-TRE-e82e6c98-20
0.325
MAR-TRE-8190bb11-72
0.325
MAR-TRE-4f781e27-91
0.325
MAR-TRE-e82e6c98-71
0.325
MAR-TRE-e82e6c98-43
0.324
MAR-TRE-8190bb11-5
0.324
MAR-TRE-a9136c7b-70
0.321
MAR-TRE-e82e6c98-100
0.321
MAR-TRE-9d18ae8c-67
0.321
MAR-TRE-be9ff7d2-16
0.321
MAR-TRE-92684b97-56
0.320
MAR-TRE-799db12b-91
0.320
MAR-TRE-c317dd82-48
0.319
MAR-TRE-be9ff7d2-12
0.317
MAR-TRE-be9ff7d2-35
0.317
MAR-TRE-be9ff7d2-74
0.315
MAR-TRE-799db12b-8
0.314
MAR-TRE-be9ff7d2-84
0.312
MAR-TRE-66ac689e-81
0.312
MAR-TRE-9d18ae8c-21
0.312
MAR-TRE-9d18ae8c-78
0.312
MAR-TRE-8190bb11-11
0.312
MAR-TRE-9d18ae8c-15
0.312
MAR-TRE-9d18ae8c-31
0.312
MAR-TRE-8190bb11-47
0.312
MAR-TRE-c317dd82-98
0.311
MAR-TRE-be9ff7d2-55
0.310
MAR-TRE-9d18ae8c-17
0.310
MAR-TRE-66ac689e-48
0.309
MAR-TRE-9d18ae8c-57
0.309
MAR-TRE-e82e6c98-34
0.309
MAR-TRE-be9ff7d2-61
0.309
MAR-TRE-9d18ae8c-99
0.309
MAR-TRE-be9ff7d2-3
0.308
MAR-TRE-a9136c7b-48
0.308
MAR-TRE-8190bb11-97
0.308
MAR-TRE-66ac689e-3
0.308
MAR-TRE-66ac689e-18
0.308
MAR-TRE-66ac689e-41
0.308
MAR-TRE-92684b97-77
0.308
MAR-TRE-799db12b-45
0.307
MAR-TRE-9d18ae8c-95
0.307
MAR-TRE-66ac689e-58
0.307
MAR-TRE-66ac689e-62
0.307