Molecular Properties | |
SMILES: | O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)c2cncnc2)c1 |
MW: | 369.18 |
Fraction sp3: | 0.37 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 96.45 |
cLogP: | 1.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-53
0.645
MAR-TRE-66ac689e-37
0.632
MAR-TRE-799db12b-24
0.600
MAR-TRE-9d18ae8c-54
0.600
MAR-TRE-799db12b-3
0.600
MAR-TRE-799db12b-33
0.600
MAR-TRE-799db12b-27
0.595
MAR-TRE-799db12b-14
0.590
MAR-TRE-9d18ae8c-18
0.580
MAR-TRE-799db12b-2
0.580
MAR-TRE-9d18ae8c-11
0.578
MAR-TRE-799db12b-76
0.576
MAR-TRE-799db12b-16
0.575
MAR-TRE-4f781e27-2
0.573
MAR-TRE-9d18ae8c-7
0.566
MAR-TRE-799db12b-4
0.563
MAR-TRE-799db12b-51
0.560
MAR-TRE-9d18ae8c-30
0.554
MAR-TRE-9d18ae8c-52
0.554
MAR-TRE-92684b97-6
0.553
MAR-TRE-9d18ae8c-34
0.553
MAR-TRE-9d18ae8c-10
0.547
MAR-TRE-c317dd82-23
0.545
MAR-TRE-9d18ae8c-43
0.541
MAR-TRE-9d18ae8c-16
0.540
MAR-TRE-799db12b-97
0.535
MAR-TRE-9d18ae8c-36
0.518
MAR-TRE-66ac689e-73
0.512
MAR-TRE-66ac689e-54
0.467
MAR-TRE-9d18ae8c-49
0.462
RAL-MED-2de63afb-12
0.452
MAR-TRE-9d18ae8c-6
0.448
MAR-TRE-c317dd82-81
0.443
MAR-TRE-8190bb11-8
0.440
MAR-TRE-799db12b-69
0.440
MAR-TRE-92684b97-81
0.437
MAR-TRE-799db12b-18
0.436
MAR-TRE-66ac689e-33
0.433
MAR-TRE-92684b97-82
0.432
MAR-TRE-9d18ae8c-65
0.430
MAR-TRE-8190bb11-34
0.422
MAR-TRE-9d18ae8c-46
0.422
MAR-TRE-799db12b-44
0.420
MAR-TRE-8190bb11-80
0.418
MAR-TRE-799db12b-34
0.418
MAR-TRE-66ac689e-1
0.413
MAR-TRE-4f781e27-88
0.411
MAR-TRE-8190bb11-31
0.409
MAR-TRE-4f781e27-43
0.407
MAR-TRE-8190bb11-4
0.407
MAR-TRE-799db12b-9
0.404
MAR-TRE-799db12b-40
0.398
MAR-TRE-c317dd82-69
0.398
MAR-TRE-66ac689e-31
0.396
MAR-TRE-799db12b-64
0.389
MAR-TRE-92684b97-89
0.389
MAR-TRE-4f781e27-92
0.389
MAR-TRE-66ac689e-12
0.386
MAR-TRE-8190bb11-85
0.386
MAR-TRE-a9136c7b-17
0.383
MAR-TRE-66ac689e-26
0.382
MAR-TRE-799db12b-52
0.380
MAR-TRE-92684b97-11
0.375
MAR-TRE-a9136c7b-31
0.374
MAR-TRE-92684b97-55
0.374
AAR-UNI-c25c2f1e-65
0.371
MAR-TRE-be9ff7d2-17
0.371
MAR-TRE-8190bb11-7
0.370
MAR-TRE-8190bb11-86
0.370
MAR-TRE-66ac689e-21
0.370
MAR-TRE-4f781e27-49
0.369
MAR-TRE-9d18ae8c-89
0.368
MAR-TRE-799db12b-39
0.363
MAR-TRE-92684b97-78
0.361
MAR-TRE-e82e6c98-25
0.360
MAR-TRE-4f781e27-47
0.358
MAR-TRE-c317dd82-7
0.358
MAR-TRE-4f781e27-48
0.358
MAR-TRE-799db12b-43
0.358
MAR-TRE-799db12b-72
0.358
MAR-TRE-e82e6c98-52
0.355
MAR-TRE-799db12b-89
0.355
MAK-UNK-987948f6-11
0.354
MAR-TRE-8190bb11-24
0.353
MAR-TRE-4f781e27-99
0.352
MAR-TRE-799db12b-35
0.352
SIM-DEM-2843056b-1
0.350
MAR-TRE-a9136c7b-14
0.349
MAR-TRE-be9ff7d2-18
0.348
MAR-TRE-9d18ae8c-2
0.348
MAR-TRE-8190bb11-13
0.345
MAR-TRE-be9ff7d2-90
0.345
MAR-TRE-66ac689e-20
0.344
RAL-MED-2de63afb-8
0.344
RAL-MED-2de63afb-13
0.344
MAR-TRE-66ac689e-65
0.344
MAR-TRE-c317dd82-22
0.343
MAR-TRE-a9136c7b-4
0.343
RAL-MED-2de63afb-7
0.340
MAR-TRE-8190bb11-83
0.340