Molecular Properties | |
SMILES: | CC(C)C(=O)Nc1cccc(CNC(=O)c2cncnc2)c1 |
MW: | 298.14 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.98 |
cLogP: | 2.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-30
0.800
MAR-TRE-9d18ae8c-54
0.731
MAR-TRE-66ac689e-37
0.723
MAR-TRE-9d18ae8c-53
0.712
MAR-TRE-799db12b-27
0.701
MAR-TRE-799db12b-24
0.681
MAR-TRE-799db12b-33
0.681
MAR-TRE-9d18ae8c-52
0.671
MAR-TRE-9d18ae8c-18
0.657
MAR-TRE-799db12b-2
0.657
MAR-TRE-799db12b-3
0.657
MAR-TRE-9d18ae8c-11
0.653
MAR-TRE-9d18ae8c-43
0.653
MAR-TRE-4f781e27-2
0.648
MAR-TRE-9d18ae8c-7
0.639
MAR-TRE-799db12b-51
0.630
MAR-TRE-66ac689e-73
0.623
MAR-TRE-9d18ae8c-34
0.622
MAR-TRE-92684b97-6
0.622
MAR-TRE-799db12b-97
0.622
MAR-TRE-799db12b-14
0.622
MAR-TRE-9d18ae8c-10
0.613
MAR-TRE-799db12b-76
0.605
MAR-TRE-9d18ae8c-16
0.605
MAR-TRE-799db12b-4
0.590
MAR-TRE-9d18ae8c-36
0.581
MAR-TRE-a9136c7b-11
0.575
MAR-TRE-9d18ae8c-49
0.532
RAL-MED-2de63afb-12
0.507
MAR-TRE-799db12b-44
0.507
MAR-TRE-92684b97-81
0.507
MAR-TRE-8190bb11-80
0.500
MAR-TRE-92684b97-82
0.500
MAR-TRE-9d18ae8c-6
0.500
MAR-TRE-8190bb11-31
0.487
MAR-TRE-8190bb11-8
0.487
MAR-TRE-9d18ae8c-46
0.487
MAR-TRE-66ac689e-1
0.475
MAR-TRE-92684b97-11
0.473
MAR-TRE-799db12b-69
0.469
MAR-TRE-8190bb11-34
0.468
MAR-TRE-66ac689e-12
0.467
MAR-TRE-be9ff7d2-17
0.467
MAR-TRE-66ac689e-54
0.463
MAR-TRE-66ac689e-33
0.463
MAR-TRE-9d18ae8c-65
0.458
AAR-UNI-c25c2f1e-65
0.447
MAR-TRE-92684b97-78
0.443
MAR-TRE-8190bb11-13
0.438
MAR-TRE-8190bb11-85
0.431
MAR-TRE-8190bb11-24
0.431
MAR-TRE-4f781e27-92
0.430
MAR-TRE-799db12b-18
0.430
MAR-TRE-799db12b-35
0.427
MAR-TRE-e82e6c98-12
0.423
MAR-TRE-4f781e27-43
0.416
MAR-TRE-8190bb11-4
0.415
MAR-TRE-92684b97-55
0.412
MAR-TRE-799db12b-9
0.411
MAR-TRE-4f781e27-49
0.411
MAR-TRE-66ac689e-72
0.410
MAR-TRE-4f781e27-47
0.410
MAR-TRE-4f781e27-99
0.408
MAR-TRE-8190bb11-86
0.407
MAR-TRE-8190bb11-50
0.403
MAR-TRE-4f781e27-88
0.402
MAR-TRE-66ac689e-31
0.402
MAR-TRE-be9ff7d2-90
0.400
MAR-TRE-799db12b-39
0.400
AAR-UNI-c25c2f1e-18
0.398
MAR-TRE-92684b97-89
0.395
MAR-TRE-4f781e27-83
0.393
MAR-TRE-4f781e27-28
0.392
MAR-TRE-9d18ae8c-62
0.391
MAR-TRE-66ac689e-21
0.390
MAR-TRE-92684b97-53
0.390
MAR-TRE-9d18ae8c-89
0.390
MAR-TRE-799db12b-40
0.388
MAR-TRE-66ac689e-26
0.388
MAR-TRE-8190bb11-82
0.388
MAR-TRE-92684b97-54
0.388
MAR-TRE-c317dd82-55
0.380
MAR-TRE-66ac689e-20
0.378
MAR-TRE-4f781e27-55
0.378
MAR-TRE-a9136c7b-31
0.378
MAR-TRE-8190bb11-42
0.377
MAR-TRE-a9136c7b-80
0.376
MAR-TRE-799db12b-43
0.376
MAR-TRE-be9ff7d2-67
0.375
AAR-UNI-c25c2f1e-82
0.375
AAR-UNI-c25c2f1e-2
0.375
MAR-TRE-92684b97-91
0.373
MAR-TRE-66ac689e-98
0.370
MAR-TRE-8190bb11-81
0.370
MAR-TRE-9d18ae8c-81
0.369
MAR-TRE-66ac689e-29
0.369
MAR-TRE-799db12b-52
0.369
MAR-TRE-4f781e27-29
0.367
MAR-TRE-4f781e27-100
0.366
MAR-TRE-be9ff7d2-18
0.366