Molecular Properties | |
SMILES: | CC(C)CC(=O)Nc1cccc(CNC(=O)c2cncnc2)c1 |
MW: | 312.16 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 83.98 |
cLogP: | 2.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-37
0.754
MAR-TRE-9d18ae8c-53
0.742
MAR-TRE-799db12b-16
0.731
MAR-TRE-799db12b-24
0.710
MAR-TRE-799db12b-33
0.710
MAR-TRE-9d18ae8c-30
0.700
MAR-TRE-799db12b-27
0.681
MAR-TRE-799db12b-3
0.639
MAR-TRE-799db12b-2
0.639
MAR-TRE-9d18ae8c-18
0.639
MAR-TRE-9d18ae8c-11
0.635
MAR-TRE-9d18ae8c-43
0.635
MAR-TRE-799db12b-76
0.632
MAR-TRE-4f781e27-2
0.630
MAR-TRE-9d18ae8c-52
0.630
MAR-TRE-9d18ae8c-7
0.622
MAR-TRE-799db12b-51
0.613
MAR-TRE-66ac689e-73
0.606
MAR-TRE-799db12b-14
0.605
MAR-TRE-799db12b-97
0.605
MAR-TRE-92684b97-6
0.605
MAR-TRE-9d18ae8c-34
0.605
MAR-TRE-a9136c7b-11
0.600
MAR-TRE-9d18ae8c-10
0.597
MAR-TRE-9d18ae8c-16
0.590
MAR-TRE-799db12b-4
0.575
MAR-TRE-9d18ae8c-36
0.545
MAR-TRE-9d18ae8c-49
0.519
RAL-MED-2de63afb-12
0.514
MAR-TRE-799db12b-44
0.494
MAR-TRE-92684b97-81
0.494
MAR-TRE-8190bb11-80
0.487
MAR-TRE-92684b97-82
0.487
MAR-TRE-9d18ae8c-6
0.487
MAR-TRE-8190bb11-8
0.476
MAR-TRE-8190bb11-31
0.476
MAR-TRE-8190bb11-34
0.475
MAR-TRE-9d18ae8c-46
0.475
MAR-TRE-66ac689e-1
0.463
MAR-TRE-799db12b-69
0.458
MAR-TRE-66ac689e-54
0.452
MAR-TRE-66ac689e-33
0.451
MAR-TRE-9d18ae8c-65
0.447
MAR-TRE-4f781e27-43
0.442
MAR-TRE-92684b97-11
0.442
MAR-TRE-799db12b-18
0.437
MAR-TRE-66ac689e-12
0.436
MAR-TRE-be9ff7d2-17
0.436
MAR-TRE-92684b97-89
0.420
MAR-TRE-4f781e27-49
0.419
MAR-TRE-8190bb11-24
0.419
MAR-TRE-8190bb11-85
0.419
MAR-TRE-66ac689e-72
0.418
AAR-UNI-c25c2f1e-65
0.418
MAR-TRE-799db12b-35
0.416
MAR-TRE-4f781e27-99
0.416
MAR-TRE-92684b97-78
0.411
MAR-TRE-8190bb11-13
0.408
MAR-TRE-799db12b-39
0.407
MAR-TRE-8190bb11-4
0.405
MAR-TRE-4f781e27-92
0.402
MAR-TRE-92684b97-55
0.402
MAR-TRE-799db12b-9
0.402
MAR-TRE-799db12b-43
0.400
MAR-TRE-4f781e27-47
0.400
MAR-TRE-8190bb11-86
0.398
MAR-TRE-e82e6c98-12
0.395
MAR-TRE-4f781e27-88
0.393
MAR-TRE-66ac689e-31
0.393
MAR-TRE-9d18ae8c-62
0.383
MAR-TRE-4f781e27-28
0.383
MAR-TRE-92684b97-53
0.381
MAR-TRE-c317dd82-63
0.380
MAR-TRE-9d18ae8c-89
0.380
MAR-TRE-799db12b-40
0.379
MAR-TRE-66ac689e-26
0.378
MAR-TRE-8190bb11-50
0.375
MAR-TRE-be9ff7d2-90
0.372
MAR-TRE-e82e6c98-54
0.372
WIL-UNI-1faa9b10-23
0.370
MAR-TRE-a9136c7b-31
0.370
MAR-TRE-4f781e27-55
0.369
MAR-TRE-66ac689e-65
0.368
AAR-UNI-c25c2f1e-74
0.367
MAR-TRE-9d18ae8c-48
0.366
MAR-TRE-be9ff7d2-67
0.365
MAR-TRE-66ac689e-21
0.365
MAR-TRE-92684b97-91
0.365
MAR-TRE-9d18ae8c-9
0.364
MAR-TRE-a9136c7b-28
0.361
MAR-TRE-66ac689e-98
0.361
MAR-TRE-e82e6c98-50
0.361
MAR-TRE-9d18ae8c-81
0.360
MAR-TRE-4f781e27-29
0.358
MAR-TRE-4f781e27-100
0.357
MAR-TRE-9d18ae8c-2
0.357
MAR-TRE-e82e6c98-25
0.355
MAR-TRE-799db12b-84
0.354
MAR-TRE-c317dd82-55
0.354
MAR-TRE-92684b97-47
0.353