Molecular Properties | |
SMILES: | O=C(O)CC1COCCC1NC(=O)c1cncnc1 |
MW: | 265.11 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 101.41 |
cLogP: | 0.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-81
0.507
MAR-TRE-92684b97-39
0.458
MAR-TRE-c317dd82-18
0.444
MAR-TRE-92684b97-62
0.434
MAR-TRE-8190bb11-56
0.432
MAR-TRE-8190bb11-41
0.432
MAR-TRE-e82e6c98-53
0.418
MAR-TRE-c317dd82-77
0.408
MAR-TRE-92684b97-57
0.406
MAR-TRE-a9136c7b-96
0.400
MAR-TRE-be9ff7d2-22
0.395
MAR-TRE-be9ff7d2-81
0.392
MAR-TRE-9d18ae8c-93
0.392
MAR-TRE-799db12b-57
0.390
MAR-TRE-e82e6c98-44
0.390
MAR-TRE-e82e6c98-56
0.390
MAR-TRE-e82e6c98-79
0.390
MAR-TRE-e82e6c98-86
0.386
MAR-TRE-92684b97-7
0.382
MAR-TRE-799db12b-92
0.381
MAR-TRE-be9ff7d2-75
0.381
MAR-TRE-be9ff7d2-30
0.380
MAR-TRE-be9ff7d2-52
0.376
MAR-TRE-799db12b-71
0.373
MAR-TRE-be9ff7d2-60
0.370
MAR-TRE-be9ff7d2-20
0.365
MAR-TRE-c317dd82-8
0.360
MAR-TRE-92684b97-20
0.359
MAR-TRE-c317dd82-34
0.354
MAR-TRE-e82e6c98-34
0.354
MAR-TRE-e82e6c98-28
0.350
MAR-TRE-4f781e27-18
0.349
MAR-TRE-c317dd82-88
0.347
MAR-TRE-e82e6c98-52
0.346
MAR-TRE-be9ff7d2-35
0.346
MAR-TRE-be9ff7d2-12
0.346
MAR-TRE-c317dd82-69
0.345
MAR-TRE-9d18ae8c-31
0.342
MAR-TRE-be9ff7d2-29
0.341
MAR-TRE-e82e6c98-99
0.341
MAR-TRE-92684b97-28
0.341
MAR-TRE-c317dd82-73
0.338
MAR-TRE-e82e6c98-71
0.338
MAR-TRE-c317dd82-86
0.338
MAR-TRE-a9136c7b-86
0.337
MAR-TRE-be9ff7d2-78
0.337
MAR-TRE-92684b97-52
0.333
MAR-TRE-8190bb11-39
0.333
MAR-TRE-c317dd82-96
0.333
MAR-TRE-e82e6c98-65
0.333
MAR-TRE-be9ff7d2-16
0.333
MAR-TRE-a9136c7b-29
0.330
MAR-TRE-799db12b-62
0.329
MAR-TRE-799db12b-29
0.329
MAR-TRE-be9ff7d2-74
0.329
MAR-TRE-c317dd82-65
0.326
MAR-TRE-799db12b-7
0.325
MAR-TRE-66ac689e-61
0.325
MAR-TRE-a9136c7b-97
0.325
MAR-TRE-8190bb11-65
0.325
MAR-TRE-9d18ae8c-78
0.325
MAR-TRE-92684b97-3
0.322
MAR-TRE-e82e6c98-78
0.321
MAR-TRE-e82e6c98-10
0.321
MAR-TRE-c317dd82-40
0.321
MAR-TRE-c317dd82-46
0.321
MAR-TRE-c317dd82-82
0.321
MAR-TRE-9d18ae8c-76
0.320
MAR-TRE-c317dd82-21
0.319
MAR-TRE-c317dd82-32
0.319
MAR-TRE-a9136c7b-7
0.318
MAR-TRE-a9136c7b-47
0.318
MAR-TRE-e82e6c98-6
0.318
MAR-TRE-be9ff7d2-42
0.316
MAR-TRE-e82e6c98-48
0.316
MAR-TRE-e82e6c98-42
0.316
MAR-TRE-c317dd82-49
0.315
MAR-TRE-a9136c7b-95
0.314
MAR-TRE-c317dd82-4
0.313
MAR-TRE-be9ff7d2-79
0.313
MAR-TRE-c317dd82-9
0.312
MAR-TRE-c317dd82-67
0.311
MAR-TRE-9d18ae8c-86
0.310
MAR-TRE-c317dd82-37
0.310
MAR-TRE-a9136c7b-89
0.310
MAR-TRE-c317dd82-80
0.310
MAR-TRE-be9ff7d2-54
0.310
MAR-TRE-92684b97-45
0.310
MAR-TRE-9d18ae8c-38
0.310
MAR-TRE-92684b97-70
0.309
MAR-TRE-e82e6c98-55
0.308
MAR-TRE-be9ff7d2-41
0.308
MAR-TRE-9d18ae8c-21
0.308
MAR-TRE-a9136c7b-2
0.307
MAR-TRE-799db12b-64
0.307
MAR-TRE-be9ff7d2-62
0.307
MAR-TRE-e82e6c98-70
0.307
MAR-TRE-e82e6c98-36
0.306
MAR-TRE-e82e6c98-40
0.306
MAR-TRE-4f781e27-79
0.306