Molecular Properties | |
SMILES: | O=C(NC(C(=O)O)c1cccc2ccccc12)c1cncnc1 |
MW: | 307.1 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 2.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-17
0.727
MAR-TRE-9d18ae8c-94
0.592
MAR-TRE-92684b97-68
0.568
MAR-TRE-8190bb11-91
0.554
MAR-TRE-8190bb11-25
0.542
MAR-TRE-92684b97-27
0.537
MAR-TRE-92684b97-50
0.537
MAR-TRE-799db12b-23
0.536
MAR-TRE-9d18ae8c-64
0.522
MAR-TRE-9d18ae8c-28
0.479
MAR-TRE-799db12b-95
0.464
MAR-TRE-a9136c7b-66
0.458
MAR-TRE-8190bb11-71
0.451
MAR-TRE-be9ff7d2-86
0.447
MAR-TRE-a9136c7b-36
0.446
MAR-TRE-8190bb11-59
0.444
MAR-TRE-8190bb11-28
0.444
MAR-TRE-92684b97-17
0.444
MAR-TRE-92684b97-35
0.444
MAR-TRE-e82e6c98-30
0.437
MAR-TRE-66ac689e-52
0.427
MAR-TRE-66ac689e-93
0.421
MAR-TRE-c317dd82-41
0.420
MAR-TRE-8190bb11-10
0.416
MAR-TRE-4f781e27-40
0.408
MAR-TRE-4f781e27-86
0.408
MAR-TRE-92684b97-5
0.407
MAR-TRE-92684b97-80
0.400
MAR-TRE-92684b97-51
0.400
MAR-TRE-92684b97-98
0.398
MAR-TRE-9d18ae8c-60
0.395
MAR-TRE-799db12b-61
0.395
MAR-TRE-8190bb11-54
0.395
MAR-TRE-799db12b-96
0.395
AAR-POS-d2a4d1df-39
0.394
MAR-TRE-8190bb11-98
0.390
MAR-TRE-8190bb11-48
0.387
MAR-TRE-4f781e27-93
0.386
MAR-TRE-9d18ae8c-97
0.385
MAR-TRE-8190bb11-11
0.382
MAR-TRE-799db12b-79
0.380
MAR-TRE-9d18ae8c-74
0.380
MAR-TRE-8190bb11-14
0.378
MAR-TRE-4f781e27-91
0.377
MAR-TRE-9d18ae8c-88
0.377
MAR-TRE-66ac689e-84
0.375
MAR-TRE-4f781e27-39
0.368
MAR-TRE-4f781e27-14
0.367
MAR-TRE-92684b97-86
0.367
MAR-TRE-92684b97-99
0.364
MAR-TRE-be9ff7d2-84
0.362
MAR-TRE-4f781e27-45
0.362
MAR-TRE-66ac689e-81
0.362
MAR-TRE-66ac689e-61
0.361
MAR-TRE-8190bb11-26
0.361
MAR-TRE-92684b97-96
0.361
MAR-TRE-4f781e27-27
0.360
MAR-TRE-e82e6c98-20
0.359
MAR-TRE-66ac689e-41
0.359
MAR-TRE-9d18ae8c-99
0.358
MAR-TRE-92684b97-97
0.356
MAR-TRE-92684b97-8
0.352
MAR-TRE-4f781e27-94
0.352
MAR-TRE-66ac689e-72
0.350
MAR-TRE-4f781e27-56
0.349
MAR-TRE-9d18ae8c-80
0.349
MAR-TRE-92684b97-2
0.349
MAR-TRE-e82e6c98-70
0.347
MAR-TRE-92684b97-41
0.346
MAR-TRE-9d18ae8c-85
0.346
MAR-TRE-be9ff7d2-68
0.346
MAR-TRE-92684b97-85
0.346
MAR-TRE-a9136c7b-91
0.346
MAR-TRE-92684b97-93
0.345
MAR-TRE-9d18ae8c-59
0.342
MAR-TRE-66ac689e-18
0.342
MAR-TRE-4f781e27-24
0.342
MAR-TRE-4f781e27-29
0.342
MAR-TRE-66ac689e-48
0.341
MAR-TRE-66ac689e-77
0.341
MAR-TRE-8190bb11-35
0.341
MAR-TRE-4f781e27-69
0.341
MAR-TRE-e82e6c98-54
0.338
MAR-TRE-92684b97-56
0.338
MAR-TRE-799db12b-91
0.338
MAR-TRE-9d18ae8c-67
0.338
MAR-TRE-be9ff7d2-97
0.337
MAR-TRE-66ac689e-97
0.337
MAR-TRE-4f781e27-51
0.337
MAR-TRE-66ac689e-36
0.337
MAR-TRE-4f781e27-6
0.337
MAR-TRE-9d18ae8c-91
0.337
MAR-TRE-799db12b-55
0.333
MAR-TRE-66ac689e-57
0.333
MAR-TRE-be9ff7d2-47
0.333
MAR-TRE-a9136c7b-8
0.333
MAR-TRE-66ac689e-92
0.333
MAR-TRE-8190bb11-6
0.333
MAR-TRE-4f781e27-4
0.333
MAR-TRE-9d18ae8c-9
0.333