Molecular Properties | |
SMILES: | COc1cccc(C2(CNC(=O)c3cncnc3)CC2)c1 |
MW: | 283.13 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 64.11 |
cLogP: | 1.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-13
0.871
MAR-TRE-4f781e27-35
0.487
MAR-TRE-66ac689e-98
0.486
MAR-TRE-799db12b-87
0.462
MAR-TRE-a9136c7b-78
0.450
MAR-TRE-4f781e27-53
0.446
MAR-TRE-a9136c7b-5
0.446
MAR-TRE-66ac689e-69
0.446
MAR-TRE-9d18ae8c-66
0.446
MAR-TRE-8190bb11-58
0.442
MAR-TRE-66ac689e-93
0.434
MAR-TRE-92684b97-77
0.427
MAR-TRE-c317dd82-86
0.423
MAR-TRE-8190bb11-70
0.420
MAR-TRE-66ac689e-97
0.418
MAR-TRE-4f781e27-37
0.418
MAR-TRE-4f781e27-56
0.412
MAR-TRE-9d18ae8c-86
0.405
MAR-TRE-be9ff7d2-73
0.400
MAR-TRE-be9ff7d2-49
0.400
MAR-TRE-9d18ae8c-19
0.400
MAR-TRE-9d18ae8c-24
0.400
MAR-TRE-c317dd82-25
0.398
MAR-TRE-4f781e27-20
0.398
MAR-TRE-799db12b-90
0.398
MAR-TRE-4f781e27-22
0.397
MAR-TRE-799db12b-92
0.395
MAR-TRE-e82e6c98-14
0.395
MAR-TRE-92684b97-29
0.395
MAR-TRE-e82e6c98-76
0.395
MAR-TRE-c317dd82-37
0.390
MAR-TRE-9d18ae8c-90
0.390
MAR-TRE-92684b97-73
0.390
MAR-TRE-c317dd82-12
0.388
MAR-TRE-c317dd82-47
0.386
MAR-TRE-799db12b-84
0.385
MAR-TRE-be9ff7d2-7
0.375
MAR-TRE-4f781e27-16
0.375
MAR-TRE-be9ff7d2-91
0.372
MAR-TRE-be9ff7d2-95
0.372
MAR-TRE-92684b97-4
0.372
MAR-TRE-66ac689e-37
0.370
MAR-TRE-799db12b-39
0.370
MAR-TRE-799db12b-33
0.369
MAR-TRE-92684b97-52
0.368
MAR-TRE-92684b97-12
0.364
MAR-TRE-799db12b-19
0.364
MAR-TRE-92684b97-82
0.361
MAR-TRE-66ac689e-1
0.360
MAR-TRE-4f781e27-49
0.360
MAR-TRE-a9136c7b-98
0.358
MAR-TRE-be9ff7d2-40
0.358
MAR-TRE-a9136c7b-28
0.358
MAR-TRE-8190bb11-77
0.358
MAR-TRE-be9ff7d2-70
0.358
MAR-TRE-be9ff7d2-54
0.357
MAR-TRE-8190bb11-38
0.357
MAR-TRE-9d18ae8c-72
0.355
MAR-TRE-66ac689e-73
0.354
MAR-TRE-c317dd82-14
0.353
MAR-TRE-c317dd82-38
0.352
MAR-TRE-4f781e27-21
0.351
MAR-TRE-4f781e27-43
0.350
MAR-TRE-4f781e27-92
0.349
MAR-TRE-92684b97-81
0.349
MAR-TRE-9d18ae8c-53
0.349
MAR-TRE-799db12b-44
0.349
MAR-TRE-66ac689e-8
0.349
MAR-TRE-8190bb11-95
0.349
MAR-TRE-4f781e27-83
0.349
MAR-TRE-a9136c7b-7
0.348
MAR-TRE-66ac689e-57
0.346
MAR-TRE-799db12b-94
0.346
MAR-TRE-9d18ae8c-48
0.346
MAR-TRE-799db12b-27
0.345
MAR-TRE-799db12b-16
0.345
MAR-TRE-8190bb11-86
0.345
MAR-TRE-92684b97-92
0.345
MAR-TRE-e82e6c98-41
0.342
MAR-TRE-4f781e27-84
0.342
MAR-TRE-92684b97-54
0.341
MAR-TRE-4f781e27-88
0.341
MAR-TRE-92684b97-96
0.341
MAR-TRE-c317dd82-44
0.341
MAR-TRE-a9136c7b-27
0.341
MAR-TRE-8190bb11-31
0.341
MAR-TRE-92684b97-1
0.341
MAR-TRE-be9ff7d2-5
0.341
MAR-TRE-66ac689e-18
0.338
MAR-TRE-4f781e27-58
0.337
MAR-TRE-e82e6c98-56
0.337
MAR-TRE-8190bb11-67
0.337
MAR-TRE-9d18ae8c-46
0.337
MAR-TRE-9d18ae8c-54
0.337
MAR-TRE-799db12b-24
0.337
MAR-TRE-e82e6c98-86
0.337
MAR-TRE-4f781e27-9
0.337
MAR-TRE-799db12b-54
0.333
MAR-TRE-9d18ae8c-39
0.333
MAR-TRE-be9ff7d2-64
0.333