Molecular Properties | |
SMILES: | O=C(NC1(CO)Cc2ccccc2C1)c1cncnc1 |
MW: | 269.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 75.11 |
cLogP: | 0.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-39
0.589
MAR-TRE-9d18ae8c-72
0.533
MAR-TRE-92684b97-76
0.516
MAR-TRE-9d18ae8c-68
0.478
MAR-TRE-4f781e27-35
0.437
MAR-TRE-9d18ae8c-27
0.423
MAR-TRE-9d18ae8c-32
0.419
MAR-TRE-66ac689e-90
0.411
MAR-TRE-4f781e27-21
0.409
MAR-TRE-9d18ae8c-33
0.406
MAR-TRE-e82e6c98-55
0.397
MAR-TRE-92684b97-73
0.392
MAR-TRE-4f781e27-33
0.391
MAR-TRE-c317dd82-68
0.391
MAR-TRE-66ac689e-83
0.389
MAR-TRE-9d18ae8c-42
0.386
MAR-TRE-9d18ae8c-96
0.381
MAR-TRE-e82e6c98-1
0.380
MAR-TRE-66ac689e-7
0.373
MAR-TRE-92684b97-28
0.373
MAR-TRE-9d18ae8c-76
0.373
MAR-TRE-9d18ae8c-95
0.373
MAR-TRE-92684b97-79
0.360
MAR-TRE-e82e6c98-41
0.358
MAR-TRE-4f781e27-49
0.358
MAR-TRE-4f781e27-70
0.353
MAR-TRE-9d18ae8c-59
0.353
MAR-TRE-92684b97-56
0.348
MAR-TRE-92684b97-52
0.348
MAR-TRE-66ac689e-43
0.347
MAR-TRE-66ac689e-55
0.347
MAR-TRE-92684b97-31
0.347
MAR-TRE-66ac689e-70
0.343
MAR-TRE-8190bb11-48
0.343
MAR-TRE-66ac689e-49
0.343
MAR-TRE-9d18ae8c-71
0.343
MAR-TRE-8190bb11-91
0.338
MAR-TRE-799db12b-95
0.338
MAR-TRE-92684b97-51
0.338
MAR-TRE-8190bb11-11
0.338
MAR-TRE-8190bb11-47
0.338
MAR-TRE-9d18ae8c-31
0.338
MAR-TRE-9d18ae8c-73
0.338
MAR-TRE-9d18ae8c-78
0.338
MAR-TRE-66ac689e-51
0.338
MAR-TRE-be9ff7d2-68
0.338
MAR-TRE-8190bb11-41
0.338
MAR-TRE-92684b97-37
0.338
MAR-TRE-e82e6c98-83
0.333
MAR-TRE-799db12b-96
0.333
MAR-TRE-66ac689e-62
0.333
MAR-TRE-4f781e27-91
0.333
MAR-TRE-66ac689e-24
0.333
MAR-TRE-92684b97-43
0.329
MAR-TRE-8190bb11-19
0.329
MAR-TRE-8190bb11-20
0.329
MAR-TRE-799db12b-15
0.329
MAR-TRE-66ac689e-20
0.329
MAR-TRE-799db12b-54
0.329
MAR-TRE-4f781e27-92
0.329
MAR-TRE-be9ff7d2-76
0.329
MAR-TRE-92684b97-38
0.329
MAR-TRE-92684b97-21
0.329
MAR-TRE-92684b97-66
0.329
MAR-TRE-92684b97-50
0.329
MAR-TRE-92684b97-27
0.329
MAR-TRE-92684b97-78
0.328
MAR-TRE-92684b97-61
0.325
MAR-TRE-66ac689e-5
0.325
MAR-TRE-4f781e27-4
0.325
MAR-TRE-4f781e27-28
0.324
MAR-TRE-9d18ae8c-25
0.324
MAR-TRE-9d18ae8c-28
0.324
MAR-TRE-66ac689e-57
0.324
MAR-TRE-8190bb11-62
0.324
MAR-TRE-c317dd82-53
0.324
MAR-TRE-8190bb11-59
0.324
MAR-TRE-4f781e27-32
0.324
MAR-TRE-4f781e27-39
0.324
MAR-TRE-4f781e27-73
0.324
MAR-TRE-92684b97-17
0.324
MAR-TRE-a9136c7b-45
0.321
MAR-TRE-92684b97-4
0.321
MAR-TRE-66ac689e-31
0.321
MAR-TRE-66ac689e-34
0.321
MAR-TRE-66ac689e-67
0.321
MAR-TRE-8190bb11-46
0.321
MAR-TRE-4f781e27-59
0.321
MAR-TRE-8190bb11-56
0.320
MAR-TRE-9d18ae8c-74
0.320
MAR-TRE-8190bb11-96
0.319
MAR-TRE-9d18ae8c-15
0.319
MAR-TRE-9d18ae8c-21
0.319
MAR-TRE-9d18ae8c-87
0.319
MAR-TRE-e82e6c98-70
0.319
MAR-TRE-8190bb11-24
0.319
MAR-TRE-799db12b-59
0.316
MAR-TRE-92684b97-19
0.316
MAR-TRE-4f781e27-63
0.316
MAR-TRE-4f781e27-100
0.316