Molecular Properties | |
SMILES: | COCCOCc1ccc(NC(=O)c2cncnc2)cc1 |
MW: | 287.13 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 73.34 |
cLogP: | 1.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Unbranched chain
MAR-TRE-4f781e27-12
0.500
MAR-TRE-8190bb11-69
0.493
MAR-TRE-4f781e27-31
0.471
MAR-TRE-9d18ae8c-58
0.465
MAR-TRE-66ac689e-51
0.465
MAR-TRE-9d18ae8c-29
0.458
MAR-TRE-8190bb11-7
0.446
MAR-TRE-8190bb11-4
0.434
MAR-TRE-4f781e27-47
0.429
MAR-TRE-4f781e27-1
0.425
MAR-TRE-a9136c7b-9
0.425
MAR-TRE-e82e6c98-38
0.416
MAR-TRE-799db12b-26
0.412
MAR-TRE-9d18ae8c-15
0.408
MAR-TRE-8190bb11-65
0.408
MAR-TRE-92684b97-25
0.405
MAR-TRE-799db12b-17
0.398
MAR-TRE-a9136c7b-89
0.385
MAR-TRE-66ac689e-2
0.382
MAR-TRE-799db12b-93
0.375
MAR-TRE-66ac689e-30
0.373
MAR-TRE-be9ff7d2-15
0.368
MAR-TRE-be9ff7d2-36
0.366
MAR-TRE-9d18ae8c-14
0.364
MAR-TRE-66ac689e-89
0.362
MAR-TRE-c317dd82-16
0.358
MAR-TRE-799db12b-86
0.358
MAR-TRE-4f781e27-60
0.358
MAR-TRE-e82e6c98-80
0.356
MAR-TRE-799db12b-20
0.351
MAR-TRE-be9ff7d2-83
0.347
MAR-TRE-e82e6c98-9
0.347
MAR-TRE-e82e6c98-58
0.346
MAR-TRE-799db12b-39
0.346
MAR-TRE-799db12b-33
0.346
MAR-TRE-9d18ae8c-83
0.346
MAR-TRE-8190bb11-13
0.342
MAR-TRE-799db12b-74
0.342
MAR-TRE-799db12b-84
0.342
MAR-TRE-8190bb11-51
0.342
MAR-TRE-4f781e27-40
0.342
MAR-TRE-92684b97-55
0.342
MAR-TRE-8190bb11-68
0.341
MAR-TRE-c317dd82-56
0.341
MAR-TRE-66ac689e-57
0.338
MAR-TRE-66ac689e-79
0.338
MAR-TRE-4f781e27-80
0.338
MAR-TRE-c317dd82-90
0.338
MAR-TRE-92684b97-73
0.333
MAR-TRE-8190bb11-74
0.333
MAR-TRE-799db12b-37
0.333
MAR-TRE-8190bb11-85
0.333
MAR-TRE-4f781e27-49
0.333
MAR-TRE-e82e6c98-41
0.333
MAR-TRE-e82e6c98-50
0.333
MAR-TRE-799db12b-63
0.333
MAR-TRE-66ac689e-31
0.333
MAR-TRE-8190bb11-49
0.333
MAR-TRE-8190bb11-24
0.333
MAR-TRE-799db12b-2
0.329
MAR-TRE-be9ff7d2-56
0.329
MAR-TRE-c317dd82-59
0.325
MAR-TRE-a9136c7b-12
0.325
MAR-TRE-66ac689e-46
0.325
MAR-TRE-799db12b-43
0.325
MAR-TRE-8190bb11-95
0.325
MAR-TRE-9d18ae8c-35
0.325
MAR-TRE-66ac689e-8
0.325
MAR-TRE-4f781e27-86
0.325
MAR-TRE-4f781e27-85
0.324
MAR-TRE-92684b97-78
0.324
MAR-TRE-c317dd82-48
0.324
MAR-TRE-799db12b-40
0.321
MAR-TRE-66ac689e-99
0.321
MAR-TRE-c317dd82-91
0.321
MAR-TRE-799db12b-10
0.321
MAR-TRE-799db12b-66
0.321
MAR-TRE-92684b97-74
0.320
MAR-TRE-be9ff7d2-49
0.320
MAR-TRE-e82e6c98-74
0.320
MAR-TRE-be9ff7d2-95
0.318
MAR-TRE-9d18ae8c-11
0.318
MAR-TRE-a9136c7b-42
0.317
MAR-TRE-66ac689e-76
0.317
MAR-TRE-92684b97-54
0.316
MAR-TRE-9d18ae8c-69
0.316
MAR-TRE-66ac689e-98
0.316
MAR-TRE-4f781e27-25
0.316
MAR-TRE-4f781e27-99
0.316
MAR-TRE-c317dd82-63
0.316
MAR-TRE-92684b97-26
0.316
MAR-TRE-e82e6c98-55
0.316
MAR-TRE-9d18ae8c-87
0.316
MAR-TRE-e82e6c98-76
0.316
MAR-TRE-799db12b-35
0.316
MAR-TRE-c317dd82-23
0.315
MAR-TRE-9d18ae8c-18
0.313
MAR-TRE-a9136c7b-51
0.313
MAR-TRE-a9136c7b-64
0.313
MAR-TRE-66ac689e-24
0.313