Molecular Properties | |
SMILES: | O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1cncnc1 |
MW: | 350.12 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.98 |
cLogP: | 2.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-7
0.736
MAR-TRE-9d18ae8c-18
0.708
MAR-TRE-4f781e27-2
0.699
MAR-TRE-799db12b-2
0.685
MAR-TRE-9d18ae8c-11
0.658
MAR-TRE-799db12b-3
0.640
MAR-TRE-66ac689e-37
0.630
MAR-TRE-9d18ae8c-53
0.622
MAR-TRE-799db12b-16
0.613
MAR-TRE-799db12b-27
0.613
MAR-TRE-9d18ae8c-52
0.610
MAR-TRE-92684b97-6
0.608
MAR-TRE-9d18ae8c-34
0.608
MAR-TRE-9d18ae8c-54
0.597
MAR-TRE-799db12b-24
0.597
MAR-TRE-799db12b-33
0.597
MAR-TRE-9d18ae8c-43
0.595
MAR-TRE-799db12b-51
0.595
MAR-TRE-9d18ae8c-30
0.590
MAR-TRE-799db12b-97
0.588
MAR-TRE-9d18ae8c-16
0.573
MAR-TRE-799db12b-14
0.568
MAR-TRE-799db12b-4
0.560
MAR-TRE-799db12b-76
0.554
MAR-TRE-a9136c7b-11
0.547
MAR-TRE-66ac689e-73
0.545
MAR-TRE-9d18ae8c-36
0.531
MAR-TRE-9d18ae8c-49
0.488
MAR-TRE-66ac689e-33
0.476
MAR-TRE-9d18ae8c-46
0.464
MAR-TRE-92684b97-81
0.463
MAR-TRE-799db12b-18
0.461
MAR-TRE-9d18ae8c-6
0.458
MAR-TRE-799db12b-39
0.451
MAR-TRE-799db12b-44
0.446
MAR-TRE-92684b97-55
0.446
MAR-TRE-66ac689e-54
0.443
MAR-TRE-8190bb11-80
0.442
MAR-TRE-4f781e27-47
0.442
MAR-TRE-92684b97-82
0.440
MAR-TRE-66ac689e-31
0.435
MAR-TRE-8190bb11-8
0.432
MAR-TRE-8190bb11-31
0.432
MAR-TRE-8190bb11-34
0.430
MAR-TRE-8190bb11-4
0.430
AAR-UNI-c25c2f1e-65
0.427
RAL-MED-2de63afb-12
0.427
MAR-TRE-92684b97-91
0.424
MAR-TRE-66ac689e-1
0.420
MAR-TRE-799db12b-40
0.420
MAR-TRE-799db12b-69
0.416
WIL-UNI-1faa9b10-23
0.415
AAR-UNI-c25c2f1e-82
0.410
AAR-UNI-c25c2f1e-2
0.410
MAR-TRE-9d18ae8c-65
0.407
MAR-TRE-9d18ae8c-2
0.400
MAR-TRE-8190bb11-36
0.398
MAR-TRE-92684b97-11
0.398
MAR-TRE-799db12b-9
0.396
MAR-TRE-a9136c7b-31
0.394
MAR-TRE-be9ff7d2-17
0.393
MAR-TRE-66ac689e-12
0.393
MAR-TRE-4f781e27-88
0.386
MAR-TRE-92684b97-78
0.385
MAR-TRE-4f781e27-43
0.381
MAR-TRE-4f781e27-92
0.379
MAR-TRE-799db12b-43
0.378
MAR-TRE-8190bb11-85
0.375
MAR-TRE-8190bb11-24
0.375
MAR-TRE-8190bb11-86
0.375
MAR-TRE-4f781e27-99
0.373
MAR-TRE-799db12b-35
0.373
MAR-TRE-66ac689e-26
0.372
MAR-TRE-66ac689e-74
0.367
MAR-TRE-8190bb11-13
0.366
MAR-TRE-be9ff7d2-90
0.366
MAR-TRE-92684b97-89
0.364
MAR-TRE-e82e6c98-91
0.364
MAR-TRE-8190bb11-42
0.361
MAR-TRE-4f781e27-49
0.358
MAR-TRE-c317dd82-63
0.357
MAR-TRE-9d18ae8c-89
0.357
MAR-TRE-66ac689e-76
0.356
MAR-TRE-e82e6c98-95
0.356
MAR-TRE-799db12b-37
0.355
MAR-TRE-8190bb11-50
0.353
MAR-TRE-799db12b-75
0.352
MAR-TRE-e82e6c98-25
0.351
MAR-TRE-92684b97-66
0.349
MAR-TRE-66ac689e-8
0.348
MAR-TRE-799db12b-86
0.348
MAR-TRE-be9ff7d2-37
0.348
MAR-TRE-799db12b-34
0.348
MAR-TRE-4f781e27-28
0.345
MAR-TRE-66ac689e-21
0.344
MAR-TRE-92684b97-53
0.344
MAR-TRE-e82e6c98-18
0.344
MAR-TRE-9d18ae8c-9
0.344
MAR-TRE-be9ff7d2-67
0.342
MAR-TRE-66ac689e-68
0.341