Molecular Properties | |
SMILES: | CC(C)c1noc(C2(NC(=O)c3cncnc3)CCOCC2)n1 |
MW: | 317.15 |
Fraction sp3: | 0.53 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 103.03 |
cLogP: | 1.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-79
0.652
MAR-TRE-a9136c7b-97
0.620
MAR-TRE-be9ff7d2-2
0.608
MAR-TRE-e82e6c98-66
0.521
MAR-TRE-be9ff7d2-66
0.500
MAR-TRE-799db12b-54
0.468
MAR-TRE-8190bb11-20
0.468
MAR-TRE-e82e6c98-83
0.440
MAR-TRE-92684b97-95
0.434
MAR-TRE-a9136c7b-27
0.434
MAR-TRE-66ac689e-5
0.425
MAR-TRE-4f781e27-33
0.421
MAR-TRE-92684b97-19
0.418
MAR-TRE-be9ff7d2-76
0.416
MAR-TRE-c317dd82-12
0.384
MAR-TRE-e82e6c98-55
0.372
MAR-TRE-c317dd82-37
0.369
MAR-TRE-be9ff7d2-54
0.369
MAR-TRE-c317dd82-25
0.360
MAR-TRE-be9ff7d2-29
0.353
MAR-TRE-c317dd82-96
0.346
MAR-TRE-4f781e27-21
0.346
MAR-TRE-9d18ae8c-42
0.346
MAR-TRE-66ac689e-55
0.345
MAR-TRE-c317dd82-53
0.342
MAR-TRE-e82e6c98-1
0.341
MAR-TRE-be9ff7d2-12
0.341
MAR-TRE-9d18ae8c-96
0.338
MAR-TRE-be9ff7d2-91
0.337
MAR-TRE-c317dd82-40
0.333
MAR-TRE-c317dd82-97
0.333
MAR-TRE-c317dd82-86
0.333
MAR-TRE-a9136c7b-7
0.330
MAR-TRE-66ac689e-94
0.329
MAR-TRE-c317dd82-47
0.323
MAR-TRE-92684b97-4
0.322
MAR-TRE-e82e6c98-41
0.321
MAR-TRE-e82e6c98-34
0.318
MAR-TRE-e82e6c98-15
0.316
MAR-TRE-9d18ae8c-76
0.316
MAR-TRE-9d18ae8c-95
0.316
MAR-TRE-a9136c7b-21
0.316
MAR-TRE-c317dd82-75
0.316
MAR-TRE-4f781e27-53
0.315
MAR-TRE-8190bb11-39
0.315
MAR-TRE-92684b97-31
0.314
MAR-TRE-4f781e27-51
0.314
MAR-TRE-be9ff7d2-16
0.313
MAR-TRE-c317dd82-68
0.312
MAR-TRE-92684b97-100
0.310
MAR-TRE-be9ff7d2-35
0.310
MAR-TRE-66ac689e-64
0.310
MAR-TRE-8190bb11-56
0.306
MAR-TRE-92684b97-36
0.303
MAR-TRE-c317dd82-73
0.301
MAR-TRE-e82e6c98-71
0.301
MAR-TRE-a9136c7b-26
0.301
MAR-TRE-66ac689e-36
0.300
MAR-TRE-9d18ae8c-72
0.300
MAR-TRE-8190bb11-5
0.300
MAR-TRE-9d18ae8c-27
0.299
MAR-TRE-be9ff7d2-69
0.298
MAR-TRE-4f781e27-67
0.297
MAR-TRE-8190bb11-100
0.297
MAR-TRE-92684b97-52
0.296
MAR-TRE-c317dd82-31
0.296
MAR-TRE-e82e6c98-31
0.295
MAR-TRE-9d18ae8c-68
0.295
MAR-TRE-c317dd82-4
0.295
MAR-TRE-9d18ae8c-39
0.295
MAR-TRE-799db12b-94
0.294
MAR-TRE-799db12b-85
0.293
MAR-TRE-4f781e27-95
0.293
MAR-TRE-9d18ae8c-71
0.293
MAR-TRE-66ac689e-90
0.292
MAR-TRE-92684b97-73
0.292
MAR-TRE-9d18ae8c-61
0.291
MAR-TRE-799db12b-64
0.290
MAR-TRE-9d18ae8c-31
0.289
MAR-TRE-e82e6c98-36
0.289
MAR-TRE-e82e6c98-88
0.289
MAR-TRE-a9136c7b-74
0.289
MAR-TRE-c317dd82-34
0.287
MAR-TRE-e82e6c98-79
0.287
MAR-TRE-e82e6c98-56
0.287
MAR-TRE-66ac689e-83
0.287
MAR-TRE-a9136c7b-65
0.286
MAR-TRE-66ac689e-3
0.286
MAR-TRE-9d18ae8c-32
0.286
MAR-TRE-799db12b-34
0.286
MAR-TRE-9d18ae8c-55
0.286
MAR-TRE-9d18ae8c-59
0.284
MAR-TRE-a9136c7b-16
0.283
MAR-TRE-be9ff7d2-8
0.283
MAR-TRE-799db12b-62
0.283
MAR-TRE-a9136c7b-17
0.283
MAR-TRE-c317dd82-18
0.282
MAR-TRE-e82e6c98-65
0.282
MAR-TRE-92684b97-76
0.282
MAR-TRE-9d18ae8c-33
0.282