Molecular Properties | |
SMILES: | Cc1cc(COC2CCC(NC(=O)c3cncnc3)CC2)on1 |
MW: | 316.15 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 90.14 |
cLogP: | 2.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-88
0.465
MAR-TRE-be9ff7d2-8
0.429
MAR-TRE-e82e6c98-65
0.423
MAR-TRE-a9136c7b-89
0.393
MAR-TRE-a9136c7b-64
0.388
MAR-TRE-c317dd82-8
0.380
MAR-TRE-c317dd82-34
0.373
MAR-TRE-c317dd82-44
0.360
MAR-TRE-c317dd82-80
0.360
MAR-TRE-c317dd82-46
0.358
MAR-TRE-be9ff7d2-42
0.354
MAR-TRE-c317dd82-3
0.351
MAR-TRE-92684b97-57
0.351
MAR-TRE-92684b97-39
0.349
MAR-TRE-92684b97-62
0.349
MAR-TRE-c317dd82-89
0.348
MAR-TRE-9d18ae8c-78
0.346
MAR-TRE-e82e6c98-66
0.345
MAR-TRE-e82e6c98-99
0.345
MAR-TRE-c317dd82-14
0.341
MAR-TRE-e82e6c98-81
0.337
MAR-TRE-e82e6c98-96
0.337
MAR-TRE-799db12b-29
0.333
MAR-TRE-c317dd82-69
0.333
MAR-TRE-e82e6c98-76
0.329
MAR-TRE-e82e6c98-79
0.326
MAR-TRE-9d18ae8c-93
0.325
MAR-TRE-c317dd82-82
0.325
MAR-TRE-4f781e27-18
0.322
MAR-TRE-a9136c7b-96
0.322
MAR-TRE-be9ff7d2-69
0.321
MAR-TRE-e82e6c98-69
0.319
MAR-TRE-92684b97-33
0.319
MAR-TRE-be9ff7d2-19
0.318
MAR-TRE-be9ff7d2-53
0.315
MAR-TRE-92684b97-20
0.314
MAR-TRE-be9ff7d2-40
0.314
MAR-TRE-be9ff7d2-62
0.312
MAR-TRE-e82e6c98-86
0.312
MAR-TRE-e82e6c98-56
0.310
MAR-TRE-e82e6c98-34
0.310
MAR-TRE-799db12b-92
0.309
MAR-TRE-92684b97-95
0.306
MAR-TRE-4f781e27-77
0.303
MAR-TRE-92684b97-7
0.302
MAR-TRE-92684b97-83
0.302
MAR-TRE-4f781e27-22
0.302
MAR-TRE-799db12b-51
0.301
MAR-TRE-799db12b-71
0.301
MAR-TRE-9d18ae8c-90
0.300
MAR-TRE-9d18ae8c-98
0.300
MAR-TRE-be9ff7d2-29
0.300
MAR-TRE-799db12b-7
0.300
MAR-TRE-c317dd82-71
0.300
MAR-TRE-799db12b-20
0.299
MAR-TRE-8190bb11-56
0.299
MAR-TRE-4f781e27-16
0.299
MAR-TRE-e82e6c98-55
0.298
MAR-TRE-c317dd82-30
0.297
MAR-TRE-c317dd82-98
0.296
MAR-TRE-9d18ae8c-57
0.295
MAR-TRE-e82e6c98-44
0.295
MAR-TRE-e82e6c98-71
0.294
MAR-TRE-8190bb11-39
0.293
MAR-TRE-9d18ae8c-55
0.293
MAR-TRE-e82e6c98-53
0.293
MAR-TRE-9d18ae8c-76
0.293
MAR-TRE-c317dd82-6
0.292
MAR-TRE-8190bb11-95
0.292
MAR-TRE-8190bb11-75
0.292
MAR-TRE-a9136c7b-29
0.292
MAR-TRE-be9ff7d2-52
0.292
MAR-TRE-92684b97-71
0.291
MAR-TRE-c317dd82-18
0.291
MAR-TRE-be9ff7d2-72
0.291
MAR-TRE-799db12b-62
0.290
MAR-TRE-4f781e27-41
0.289
MAR-TRE-e82e6c98-47
0.289
MAR-TRE-92684b97-100
0.289
MAR-TRE-be9ff7d2-30
0.289
MAR-TRE-be9ff7d2-35
0.289
MAR-TRE-c317dd82-48
0.287
MAR-TRE-e82e6c98-1
0.287
MAR-TRE-799db12b-57
0.287
MAR-TRE-be9ff7d2-2
0.287
MAR-TRE-9d18ae8c-86
0.287
MAR-TRE-c317dd82-85
0.287
MAR-TRE-be9ff7d2-95
0.287
MAR-TRE-e82e6c98-33
0.287
MAR-TRE-92684b97-28
0.286
MAR-TRE-92684b97-37
0.286
MAR-TRE-9d18ae8c-38
0.286
MAR-TRE-4f781e27-81
0.286
MAR-TRE-8190bb11-42
0.286
MAR-TRE-be9ff7d2-49
0.286
MAR-TRE-8190bb11-41
0.284
MAR-TRE-be9ff7d2-22
0.284
MAR-TRE-be9ff7d2-74
0.284
MAR-TRE-e82e6c98-67
0.283
MAR-TRE-799db12b-75
0.283