Molecular Properties | |
SMILES: | COc1cccc(-c2cc(CNC(=O)c3cncnc3)no2)c1 |
MW: | 310.11 |
Fraction sp3: | 0.12 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 90.14 |
cLogP: | 2.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-37
0.554
MAR-TRE-3e4e6814-79
0.500
MAR-TRE-66ac689e-98
0.457
MAR-TRE-799db12b-87
0.452
MAR-TRE-92684b97-14
0.446
MAR-TRE-9d18ae8c-13
0.425
MAR-TRE-a9136c7b-78
0.425
MAR-TRE-4f781e27-56
0.424
MAR-TRE-a9136c7b-5
0.422
MAR-TRE-8190bb11-58
0.417
MAR-TRE-8190bb11-70
0.414
MAR-TRE-92684b97-81
0.412
MAR-TRE-92684b97-29
0.407
MAR-TRE-4f781e27-35
0.407
MAR-TRE-9d18ae8c-86
0.400
MAR-TRE-4f781e27-37
0.395
MAR-TRE-799db12b-92
0.391
MAR-TRE-8190bb11-83
0.389
MAR-TRE-92684b97-77
0.386
MAR-TRE-799db12b-33
0.382
MAR-TRE-799db12b-84
0.381
MAR-TRE-9d18ae8c-19
0.380
MAR-TRE-9d18ae8c-24
0.380
MAR-TRE-66ac689e-97
0.379
MAR-TRE-be9ff7d2-49
0.378
MAR-TRE-799db12b-90
0.378
MAR-TRE-4f781e27-20
0.378
MAR-TRE-9d18ae8c-55
0.378
MAR-TRE-66ac689e-93
0.376
MAR-TRE-e82e6c98-16
0.376
MAR-TRE-e82e6c98-14
0.375
MAR-TRE-92684b97-82
0.375
MAR-TRE-92684b97-96
0.371
MAR-TRE-8190bb11-8
0.370
MAR-TRE-8190bb11-31
0.370
MAR-TRE-be9ff7d2-1
0.369
MAR-TRE-799db12b-44
0.364
MAR-TRE-8190bb11-40
0.364
MAR-TRE-9d18ae8c-53
0.364
MAR-TRE-8190bb11-80
0.363
MAR-TRE-4f781e27-83
0.363
MAR-TRE-9d18ae8c-30
0.363
MAR-TRE-c317dd82-75
0.361
MAR-TRE-9d18ae8c-6
0.360
MAR-TRE-8190bb11-85
0.358
MAR-TRE-e82e6c98-76
0.357
MAR-TRE-e82e6c98-12
0.356
MAR-TRE-92684b97-54
0.356
MAR-TRE-e82e6c98-95
0.356
MAR-TRE-66ac689e-37
0.352
MAR-TRE-66ac689e-73
0.352
MAR-TRE-e82e6c98-56
0.352
MAR-TRE-9d18ae8c-46
0.352
MAR-TRE-799db12b-98
0.351
MAR-TRE-be9ff7d2-90
0.349
MAR-TRE-92684b97-11
0.349
MAR-TRE-e82e6c98-91
0.348
MAR-TRE-9d18ae8c-84
0.348
MAR-TRE-8190bb11-68
0.348
MAR-TRE-a9136c7b-80
0.348
MAR-TRE-c317dd82-11
0.347
MAR-TRE-799db12b-19
0.347
MAR-TRE-e82e6c98-67
0.347
MAR-TRE-a9136c7b-54
0.345
MAR-TRE-4f781e27-28
0.345
MAR-TRE-799db12b-16
0.344
MAR-TRE-799db12b-27
0.344
MAR-TRE-66ac689e-1
0.344
MAR-TRE-be9ff7d2-7
0.344
MAR-TRE-be9ff7d2-33
0.343
MAR-TRE-be9ff7d2-67
0.342
MAR-TRE-8190bb11-24
0.341
MAR-TRE-4f781e27-99
0.341
MAR-TRE-4f781e27-16
0.341
MAR-TRE-c317dd82-81
0.341
MAR-TRE-4f781e27-88
0.341
MAR-TRE-9d18ae8c-90
0.341
MAR-TRE-be9ff7d2-95
0.340
MAR-TRE-799db12b-18
0.340
MAR-TRE-e82e6c98-68
0.337
MAR-TRE-4f781e27-100
0.337
MAR-TRE-92684b97-44
0.337
MAR-TRE-8190bb11-34
0.337
MAR-TRE-be9ff7d2-60
0.337
MAR-TRE-799db12b-3
0.337
MAR-TRE-799db12b-24
0.337
MAR-TRE-799db12b-59
0.337
MAR-TRE-9d18ae8c-54
0.337
MAR-TRE-be9ff7d2-73
0.337
MAR-TRE-e82e6c98-86
0.337
MAR-TRE-66ac689e-54
0.337
MAR-TRE-66ac689e-33
0.333
MAR-TRE-4f781e27-2
0.333
MAR-TRE-92684b97-78
0.333
MAR-TRE-e82e6c98-97
0.333
MAR-TRE-a9136c7b-24
0.333
MAR-TRE-8190bb11-13
0.333
MAR-TRE-92684b97-12
0.333
MAR-TRE-9d18ae8c-36
0.333
MAR-TRE-a9136c7b-69
0.333