Molecular Properties | |
SMILES: | O=C(NCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1cncnc1 |
MW: | 402.06 |
Fraction sp3: | 0.06 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 101.05 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
MAR-TRE-66ac689e-73
0.676
MAR-TRE-9d18ae8c-36
0.632
MAR-TRE-66ac689e-37
0.545
MAR-TRE-9d18ae8c-53
0.538
MAR-TRE-799db12b-3
0.537
MAR-TRE-799db12b-16
0.532
MAR-TRE-799db12b-27
0.532
MAR-TRE-9d18ae8c-30
0.531
MAR-TRE-9d18ae8c-34
0.530
MAR-TRE-799db12b-2
0.519
MAR-TRE-799db12b-24
0.519
MAR-TRE-799db12b-33
0.519
MAR-TRE-9d18ae8c-54
0.519
MAR-TRE-9d18ae8c-18
0.519
MAR-TRE-9d18ae8c-16
0.518
MAR-TRE-9d18ae8c-52
0.512
MAR-TRE-4f781e27-2
0.512
MAR-TRE-799db12b-14
0.512
MAR-TRE-92684b97-6
0.512
MAR-TRE-9d18ae8c-7
0.506
MAR-TRE-799db12b-51
0.500
MAR-TRE-9d18ae8c-11
0.500
MAR-TRE-9d18ae8c-43
0.500
MAR-TRE-799db12b-76
0.500
MAR-TRE-799db12b-97
0.494
MAR-TRE-799db12b-4
0.489
MAR-TRE-9d18ae8c-10
0.488
MAR-TRE-8190bb11-24
0.486
MAR-TRE-66ac689e-12
0.481
MAR-TRE-8190bb11-13
0.474
MAR-TRE-8190bb11-8
0.465
MAR-TRE-92684b97-81
0.463
MAR-TRE-a9136c7b-11
0.462
MAR-TRE-66ac689e-33
0.459
MAR-TRE-9d18ae8c-6
0.458
MAR-TRE-8190bb11-50
0.456
MAR-TRE-92684b97-11
0.450
MAR-TRE-9d18ae8c-46
0.447
MAR-TRE-8190bb11-34
0.447
MAR-TRE-799db12b-44
0.446
MAR-TRE-8190bb11-80
0.442
MAR-TRE-92684b97-82
0.440
MAR-TRE-8190bb11-31
0.432
MAR-TRE-799db12b-69
0.432
MAR-TRE-799db12b-18
0.429
MAR-TRE-be9ff7d2-17
0.427
MAR-TRE-799db12b-9
0.426
MAR-TRE-9d18ae8c-65
0.422
MAR-TRE-66ac689e-1
0.420
MAR-TRE-66ac689e-54
0.411
MAR-TRE-799db12b-35
0.407
MAR-TRE-4f781e27-99
0.407
MAR-TRE-92684b97-78
0.403
MAR-TRE-4f781e27-92
0.395
MAR-TRE-8190bb11-85
0.392
MAR-TRE-66ac689e-21
0.391
MAR-TRE-66ac689e-26
0.388
MAR-TRE-be9ff7d2-90
0.383
MAR-TRE-8190bb11-42
0.378
MAR-TRE-8190bb11-88
0.375
MAR-TRE-8190bb11-86
0.375
MAR-TRE-9d18ae8c-89
0.373
MAR-TRE-4f781e27-84
0.373
MAR-TRE-e82e6c98-50
0.372
MAR-TRE-4f781e27-88
0.371
MAR-TRE-799db12b-52
0.371
MAR-TRE-9d18ae8c-77
0.370
MAR-TRE-4f781e27-100
0.368
MAR-TRE-92684b97-88
0.365
MAR-TRE-92684b97-72
0.365
MAR-TRE-e82e6c98-25
0.365
MAR-TRE-a9136c7b-31
0.365
MAR-TRE-4f781e27-55
0.364
MAR-TRE-66ac689e-20
0.364
MAR-TRE-e82e6c98-57
0.361
RAL-MED-2de63afb-12
0.360
MAR-TRE-799db12b-40
0.359
MAR-TRE-66ac689e-76
0.356
MAR-TRE-66ac689e-25
0.352
MAR-TRE-8190bb11-4
0.352
MAR-TRE-be9ff7d2-89
0.348
MAR-TRE-92684b97-55
0.348
MAR-TRE-4f781e27-47
0.348
MAR-TRE-799db12b-93
0.348
MAR-TRE-66ac689e-65
0.348
MAR-TRE-be9ff7d2-67
0.342
MAR-TRE-4f781e27-49
0.341
MAR-TRE-c317dd82-63
0.341
MAR-TRE-9d18ae8c-74
0.341
MAR-TRE-66ac689e-31
0.341
MAR-TRE-9d18ae8c-81
0.341
MAR-TRE-8190bb11-1
0.337
MAR-TRE-799db12b-73
0.337
MAR-TRE-9d18ae8c-47
0.337
MAR-TRE-4f781e27-43
0.333
MAR-TRE-a9136c7b-9
0.333
MAR-TRE-799db12b-72
0.333
MAR-TRE-66ac689e-47
0.333
MAR-TRE-92684b97-89
0.333
MAR-TRE-a9136c7b-4
0.333