Molecular Properties | |
SMILES: | O=C(NCCN1C(=O)c2ccccc2S1(=O)=O)c1cncnc1 |
MW: | 332.06 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 109.33 |
cLogP: | 0.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-96
0.507
MAR-TRE-799db12b-68
0.506
MAR-TRE-74c6519b-58
0.456
MAR-TRE-92684b97-44
0.455
MAR-TRE-e82e6c98-47
0.438
MAR-TRE-e82e6c98-26
0.432
MAR-TRE-66ac689e-91
0.422
MAR-TRE-8190bb11-64
0.419
MAR-TRE-be9ff7d2-32
0.418
MAR-TRE-e82e6c98-22
0.416
MAR-TRE-c317dd82-70
0.412
MAR-TRE-85681e92-63
0.394
MAR-TRE-c317dd82-92
0.392
MAR-TRE-66ac689e-53
0.391
MAR-TRE-f6f5f473-83
0.385
MAR-TRE-8190bb11-43
0.381
MAR-TRE-1c920f6f-48
0.377
MAR-TRE-be9ff7d2-19
0.375
MAR-TRE-66ac689e-67
0.369
MAR-TRE-4f781e27-19
0.367
MAR-TRE-a9136c7b-23
0.367
MAR-TRE-8190bb11-33
0.366
MAR-TRE-66ac689e-35
0.361
HAO-BIO-c9aafde3-8
0.358
MAR-TRE-4f781e27-7
0.357
MAR-TRE-66ac689e-9
0.357
MAR-TRE-92684b97-37
0.353
MAR-TRE-66ac689e-59
0.350
MAR-TRE-be9ff7d2-18
0.349
MAR-TRE-4f781e27-85
0.346
MAR-TRE-4f781e27-48
0.345
MAR-TRE-4f781e27-23
0.341
MAR-TRE-4f781e27-49
0.338
MAR-TRE-be9ff7d2-41
0.338
MAR-TRE-e82e6c98-76
0.338
MAR-TRE-8190bb11-81
0.337
MAR-TRE-8190bb11-82
0.337
MAR-TRE-4f781e27-16
0.337
MAR-TRE-8190bb11-46
0.337
MAR-TRE-be9ff7d2-73
0.333
MAR-TRE-92684b97-67
0.333
MAR-TRE-4f781e27-96
0.333
MAR-TRE-66ac689e-47
0.330
MAR-TRE-8190bb11-40
0.329
MAR-TRE-92684b97-11
0.329
MAR-TRE-e82e6c98-75
0.329
MAR-TRE-c317dd82-51
0.326
MAR-TRE-9d18ae8c-79
0.326
MAR-TRE-92684b97-53
0.326
MAR-TRE-4f781e27-28
0.325
MAR-TRE-be9ff7d2-5
0.323
MAR-TRE-8190bb11-8
0.322
MAR-TRE-66ac689e-29
0.322
MAR-TRE-66ac689e-98
0.321
MAR-TRE-66ac689e-26
0.321
MAR-TRE-e82e6c98-12
0.321
MAR-TRE-e82e6c98-29
0.321
MAR-TRE-e82e6c98-50
0.321
MAR-TRE-4f781e27-84
0.321
MAR-TRE-e82e6c98-85
0.319
MAR-TRE-e82e6c98-37
0.319
MAR-TRE-e82e6c98-92
0.319
MAR-TRE-799db12b-59
0.318
MAR-TRE-8190bb11-34
0.318
MAR-TRE-e82e6c98-10
0.318
MAR-TRE-92684b97-75
0.317
MAR-TRE-be9ff7d2-24
0.316
MAR-TRE-a9136c7b-78
0.315
MAR-TRE-c317dd82-26
0.315
MAR-TRE-be9ff7d2-37
0.315
MAR-TRE-66ac689e-20
0.314
MAR-TRE-4f781e27-92
0.314
MAR-TRE-799db12b-44
0.314
MAR-TRE-8190bb11-95
0.314
MAR-TRE-4f781e27-43
0.313
MAR-TRE-c317dd82-55
0.313
MAR-TRE-be9ff7d2-43
0.313
MAR-TRE-92684b97-72
0.313
MAR-TRE-92684b97-88
0.313
MAR-TRE-92684b97-52
0.312
MAR-TRE-e82e6c98-54
0.312
MAR-TRE-92684b97-78
0.312
MAR-TRE-e82e6c98-93
0.310
MAR-TRE-799db12b-27
0.310
MAR-TRE-8190bb11-86
0.310
MAR-TRE-799db12b-89
0.310
MAR-TRE-9d18ae8c-48
0.310
MAR-TRE-be9ff7d2-96
0.309
MAR-TRE-8190bb11-42
0.309
MAR-TRE-be9ff7d2-49
0.309
MAR-TRE-be9ff7d2-47
0.308
MAR-TRE-c317dd82-60
0.308
MAR-TRE-4f781e27-82
0.308
MAR-TRE-be9ff7d2-92
0.307
MAR-TRE-e82e6c98-5
0.307
MAR-TRE-e82e6c98-64
0.307
MAR-TRE-799db12b-87
0.307
MAR-TRE-66ac689e-40
0.307
MAR-TRE-4f781e27-81
0.307
MAR-TRE-66ac689e-34
0.307