Molecular Properties | |
SMILES: | COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cncnc3)cc2)c(OC)c1 |
MW: | 414.1 |
Fraction sp3: | 0.11 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 119.51 |
cLogP: | 2.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-25
0.689
MAR-TRE-799db12b-26
0.530
MAR-TRE-799db12b-93
0.442
MAR-TRE-66ac689e-88
0.425
MAR-TRE-e82e6c98-58
0.417
MAR-TRE-8190bb11-67
0.398
MAR-TRE-4f781e27-31
0.393
MAR-TRE-8190bb11-65
0.390
MAR-TRE-9d18ae8c-15
0.390
MAR-TRE-a9136c7b-99
0.389
MAR-TRE-a9136c7b-98
0.388
MAR-TRE-799db12b-5
0.384
MAR-TRE-8190bb11-69
0.376
MAR-TRE-8190bb11-77
0.372
MAR-TRE-8190bb11-38
0.371
MAR-TRE-66ac689e-25
0.367
MAR-TRE-a9136c7b-64
0.367
MAR-TRE-8190bb11-78
0.365
MAR-TRE-799db12b-86
0.363
MAR-TRE-4f781e27-47
0.363
MAR-TRE-e82e6c98-14
0.360
MAR-TRE-9d18ae8c-58
0.356
MAR-TRE-92684b97-73
0.356
MAR-TRE-66ac689e-76
0.356
MAR-TRE-66ac689e-2
0.352
MAR-TRE-9d18ae8c-29
0.352
MAR-TRE-8190bb11-4
0.352
MAR-TRE-be9ff7d2-62
0.351
MAR-TRE-4f781e27-9
0.351
MAR-TRE-66ac689e-13
0.349
MAR-TRE-be9ff7d2-64
0.348
MAR-TRE-4f781e27-12
0.345
MAR-TRE-799db12b-25
0.344
MAR-TRE-66ac689e-51
0.341
MAR-TRE-9d18ae8c-90
0.341
MAR-TRE-799db12b-37
0.340
MAR-TRE-a9136c7b-92
0.337
MAR-TRE-66ac689e-10
0.337
MAR-TRE-4f781e27-37
0.333
MAR-TRE-9d18ae8c-49
0.333
MAR-TRE-8190bb11-37
0.333
MAR-TRE-8190bb11-100
0.330
MAR-TRE-4f781e27-67
0.330
MAR-TRE-92684b97-29
0.330
MAR-TRE-8190bb11-7
0.330
MAR-TRE-799db12b-55
0.330
MAR-TRE-66ac689e-30
0.330
MAR-TRE-e82e6c98-74
0.329
MAR-TRE-66ac689e-57
0.329
MAR-TRE-9d18ae8c-77
0.326
MAR-TRE-92684b97-4
0.326
MAR-TRE-92684b97-1
0.326
MAR-TRE-66ac689e-98
0.326
MAR-TRE-4f781e27-15
0.326
MAR-TRE-92684b97-59
0.326
MAR-TRE-e82e6c98-38
0.323
MAR-TRE-66ac689e-89
0.323
MAR-TRE-be9ff7d2-86
0.322
MAR-TRE-66ac689e-63
0.322
MAR-TRE-8190bb11-1
0.322
MAR-TRE-92684b97-77
0.322
MAR-TRE-a9136c7b-12
0.319
MAR-TRE-2fd8122f-82
0.319
MAR-TRE-a9136c7b-65
0.319
MAR-TRE-4f781e27-60
0.319
MAR-TRE-9d18ae8c-13
0.319
MAR-TRE-92684b97-14
0.319
MAR-TRE-8190bb11-13
0.318
MAR-TRE-2fd8122f-65
0.316
MAR-TRE-c317dd82-90
0.315
MAR-TRE-a9136c7b-61
0.315
MAR-TRE-8190bb11-87
0.315
MAR-TRE-4f781e27-35
0.315
MAR-TRE-66ac689e-93
0.315
MAR-TRE-66ac689e-16
0.315
MAR-TRE-be9ff7d2-49
0.314
MAR-TRE-e82e6c98-80
0.314
MAR-TRE-66ac689e-23
0.314
MAR-TRE-92684b97-60
0.314
MAT-POS-b5746674-56
0.313
MAR-TRE-3e4e6814-6
0.312
MAT-POS-b5746674-76
0.312
MAR-TRE-8190bb11-18
0.312
MAR-TRE-92684b97-32
0.312
MAR-TRE-9d18ae8c-86
0.312
MAR-TRE-799db12b-79
0.311
MAR-TRE-8190bb11-32
0.310
MAR-TRE-e82e6c98-76
0.310
MAR-TRE-c317dd82-63
0.310
MAR-TRE-799db12b-41
0.310
MAR-TRE-4f781e27-62
0.310
MAR-TRE-4f781e27-87
0.310
MAR-TRE-8190bb11-24
0.310
MAR-TRE-c317dd82-14
0.309
MAR-TRE-799db12b-53
0.308
MAR-TRE-66ac689e-6
0.308
MAR-TRE-66ac689e-73
0.308
MAR-TRE-8190bb11-58
0.308
MAR-TRE-9d18ae8c-2
0.308
MAR-TRE-9d18ae8c-99
0.308