Molecular Properties | |
SMILES: | COc1cc(OC)cc(N2CCC(NC(=O)c3cncnc3)C2=O)c1 |
MW: | 342.13 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 93.65 |
cLogP: | 1.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-44
0.539
MAR-TRE-e82e6c98-33
0.532
MAR-TRE-be9ff7d2-95
0.494
MAR-TRE-9d18ae8c-90
0.444
MAR-TRE-be9ff7d2-53
0.440
MAR-TRE-be9ff7d2-62
0.435
MAR-TRE-4f781e27-18
0.400
MAR-TRE-be9ff7d2-42
0.388
MAR-TRE-e82e6c98-65
0.388
MAR-TRE-be9ff7d2-49
0.385
MAR-TRE-e82e6c98-21
0.385
MAR-TRE-92684b97-7
0.383
MAR-TRE-799db12b-29
0.383
MAR-TRE-e82e6c98-76
0.380
MAR-TRE-c317dd82-46
0.375
MAR-TRE-a9136c7b-5
0.367
MAR-TRE-799db12b-92
0.367
MAR-TRE-9d18ae8c-78
0.362
MAR-TRE-92684b97-20
0.361
MAR-TRE-9d18ae8c-38
0.360
MAR-TRE-e82e6c98-35
0.357
MAR-TRE-4f781e27-79
0.356
MAR-TRE-e82e6c98-86
0.356
MAR-TRE-e82e6c98-81
0.354
MAR-TRE-92684b97-14
0.353
MAR-TRE-9d18ae8c-13
0.352
MAR-TRE-e82e6c98-96
0.352
MAR-TRE-9d18ae8c-65
0.352
MAR-TRE-c317dd82-3
0.351
MAR-TRE-c317dd82-88
0.351
MAR-TRE-66ac689e-23
0.350
MAR-TRE-4f781e27-35
0.349
MAR-TRE-66ac689e-99
0.348
MAR-TRE-799db12b-41
0.346
MAR-TRE-a9136c7b-98
0.345
MAR-TRE-8190bb11-77
0.345
MAR-TRE-a9136c7b-89
0.345
MAR-TRE-92684b97-96
0.345
MAR-TRE-c317dd82-80
0.345
MAR-TRE-799db12b-69
0.344
MAR-TRE-e82e6c98-78
0.341
MAR-TRE-a9136c7b-64
0.341
MAR-TRE-a9136c7b-2
0.341
MAR-TRE-66ac689e-54
0.341
MAR-TRE-799db12b-65
0.341
MAR-TRE-a9136c7b-69
0.337
MAR-TRE-799db12b-89
0.333
MAR-TRE-e82e6c98-14
0.333
MAR-TRE-8190bb11-42
0.333
MAR-TRE-92684b97-57
0.333
MAR-TRE-92684b97-74
0.333
MAR-TRE-e82e6c98-69
0.333
MAR-TRE-c317dd82-69
0.333
MAR-TRE-9d18ae8c-86
0.330
MAR-TRE-8190bb11-38
0.330
MAR-TRE-799db12b-7
0.330
MAR-TRE-799db12b-87
0.330
MAR-TRE-66ac689e-98
0.329
MAR-TRE-e82e6c98-12
0.329
MAR-TRE-4f781e27-16
0.329
MAR-TRE-c317dd82-8
0.329
MAR-TRE-799db12b-5
0.326
MAR-TRE-8190bb11-58
0.326
MAR-TRE-92684b97-77
0.325
MAR-TRE-66ac689e-69
0.323
MAR-TRE-a9136c7b-78
0.322
MAR-TRE-799db12b-90
0.322
MAR-TRE-4f781e27-37
0.322
MAR-TRE-be9ff7d2-64
0.322
MAR-TRE-8190bb11-95
0.322
MAR-TRE-c317dd82-6
0.322
MAR-TRE-8190bb11-78
0.321
MAR-TRE-799db12b-84
0.321
MAR-TRE-be9ff7d2-88
0.321
MAR-TRE-8190bb11-75
0.319
MAR-TRE-a9136c7b-95
0.319
MAR-TRE-c317dd82-89
0.319
MAR-TRE-be9ff7d2-8
0.319
MAR-TRE-92684b97-29
0.318
MAR-TRE-4f781e27-22
0.318
MAR-TRE-a9136c7b-81
0.318
MAR-TRE-66ac689e-93
0.318
MAR-TRE-66ac689e-57
0.317
MAR-TRE-66ac689e-86
0.317
MAR-TRE-2fd8122f-42
0.315
MAR-TRE-92684b97-32
0.315
MAR-TRE-799db12b-52
0.315
MAR-TRE-92684b97-28
0.315
MAR-TRE-9d18ae8c-98
0.315
MAR-TRE-92684b97-73
0.315
MAR-TRE-799db12b-32
0.314
MAR-TRE-8190bb11-49
0.314
MAR-TRE-e82e6c98-25
0.312
MAR-TRE-8190bb11-27
0.312
MAR-TRE-a9136c7b-86
0.312
MAR-TRE-be9ff7d2-73
0.312
MAR-TRE-4f781e27-9
0.312
MAR-TRE-9d18ae8c-96
0.312
MAR-TRE-8190bb11-67
0.311
MAR-TRE-799db12b-28
0.311