Molecular Properties | |
SMILES: | O=C(NC(C(=O)O)c1ccccc1I)c1cncnc1 |
MW: | 382.98 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 1.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
iodine
Filter9_metal
aryl iodide
unacceptable atoms
MAR-TRE-4f781e27-40
0.695
MAR-TRE-8190bb11-91
0.649
MAR-TRE-92684b97-50
0.627
MAR-TRE-9d18ae8c-64
0.556
MAR-TRE-799db12b-23
0.547
MAR-TRE-9d18ae8c-8
0.537
MAR-TRE-8190bb11-25
0.529
MAR-TRE-92684b97-17
0.516
MAR-TRE-a9136c7b-66
0.508
MAR-TRE-be9ff7d2-86
0.493
MAR-TRE-a9136c7b-36
0.493
MAR-TRE-799db12b-95
0.492
MAR-TRE-e82e6c98-30
0.484
MAR-TRE-8190bb11-71
0.477
MAR-TRE-4f781e27-86
0.471
MAR-TRE-8190bb11-28
0.470
MAR-TRE-8190bb11-59
0.470
MAR-TRE-92684b97-35
0.470
MAR-TRE-c317dd82-41
0.468
MAR-TRE-9d18ae8c-28
0.464
MAR-TRE-66ac689e-93
0.443
MAR-TRE-92684b97-80
0.441
MAR-TRE-8190bb11-10
0.437
MAR-TRE-8190bb11-54
0.435
MAR-TRE-799db12b-61
0.435
MAR-TRE-799db12b-96
0.435
MAR-TRE-4f781e27-14
0.423
MAR-TRE-92684b97-99
0.420
MAR-TRE-799db12b-79
0.417
MAR-TRE-4f781e27-91
0.414
MAR-TRE-9d18ae8c-88
0.414
MAR-TRE-66ac689e-61
0.413
MAR-TRE-9d18ae8c-99
0.411
MAR-TRE-9d18ae8c-17
0.408
MAR-TRE-8190bb11-48
0.406
MAR-TRE-9d18ae8c-85
0.400
MAR-TRE-92684b97-51
0.400
MAR-TRE-4f781e27-45
0.397
MAR-TRE-8190bb11-14
0.395
MAR-TRE-8190bb11-26
0.395
MAR-TRE-9d18ae8c-60
0.395
MAR-TRE-4f781e27-24
0.394
MAR-TRE-66ac689e-52
0.392
MAR-TRE-66ac689e-84
0.392
MAR-TRE-66ac689e-71
0.392
MAR-TRE-92684b97-56
0.391
MAR-TRE-be9ff7d2-97
0.387
MAR-TRE-9d18ae8c-25
0.384
MAR-TRE-9d18ae8c-97
0.384
MAR-TRE-e82e6c98-70
0.382
MAR-TRE-a9136c7b-67
0.382
MAR-TRE-8190bb11-11
0.380
MAR-TRE-be9ff7d2-84
0.378
MAR-TRE-a9136c7b-91
0.378
MAR-TRE-9d18ae8c-59
0.377
MAR-TRE-e82e6c98-20
0.375
MAR-TRE-92684b97-84
0.372
MAR-TRE-4f781e27-9
0.370
MAR-TRE-8190bb11-98
0.370
MAR-TRE-9d18ae8c-67
0.370
MAR-TRE-a9136c7b-70
0.368
MAR-TRE-be9ff7d2-47
0.368
MAR-TRE-66ac689e-36
0.367
MAR-TRE-4f781e27-93
0.367
MAR-TRE-4f781e27-39
0.366
MAR-TRE-799db12b-55
0.365
MAR-TRE-9d18ae8c-80
0.364
MAR-TRE-8190bb11-6
0.364
MAR-TRE-4f781e27-4
0.364
MAR-TRE-92684b97-68
0.362
MAR-TRE-92684b97-98
0.362
MAR-TRE-92684b97-41
0.361
MAR-TRE-9d18ae8c-21
0.361
MAR-TRE-8190bb11-56
0.360
MAR-TRE-66ac689e-81
0.360
MAR-TRE-9d18ae8c-94
0.359
MAR-TRE-799db12b-85
0.358
MAR-TRE-66ac689e-41
0.356
MAR-TRE-8190bb11-97
0.356
MAR-TRE-66ac689e-18
0.356
MAR-TRE-8190bb11-72
0.356
MAR-TRE-66ac689e-48
0.355
MAR-TRE-92684b97-5
0.354
MAR-TRE-9d18ae8c-50
0.354
MAR-TRE-8190bb11-35
0.354
MAR-TRE-c317dd82-48
0.353
MAR-TRE-799db12b-91
0.352
MAR-TRE-4f781e27-21
0.352
MAR-TRE-e82e6c98-100
0.351
MAR-TRE-92684b97-71
0.351
MAR-TRE-4f781e27-51
0.351
MAR-TRE-9d18ae8c-41
0.351
MAR-TRE-799db12b-78
0.350
MAR-TRE-66ac689e-42
0.347
MAR-TRE-92684b97-86
0.347
MAR-TRE-66ac689e-72
0.347
MAR-TRE-4f781e27-56
0.346
MAR-TRE-9d18ae8c-9
0.346
MAR-TRE-4f781e27-49
0.343
MAR-TRE-8190bb11-47
0.342