Molecular Properties | |
SMILES: | O=C(NCCN1c2ccccc2NS1(=O)=O)c1cncnc1 |
MW: | 319.07 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 104.29 |
cLogP: | 0.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-30
0.506
MAR-TRE-e82e6c98-47
0.427
MAR-TRE-8190bb11-96
0.416
MAR-TRE-e82e6c98-22
0.405
MAR-TRE-66ac689e-91
0.395
MAR-TRE-66ac689e-35
0.386
MAR-TRE-e82e6c98-26
0.385
MAR-TRE-8190bb11-64
0.378
MAR-TRE-92684b97-37
0.376
MAR-TRE-be9ff7d2-19
0.366
MAR-TRE-a9136c7b-23
0.359
MAR-TRE-8190bb11-33
0.357
MAR-TRE-be9ff7d2-32
0.357
MAR-TRE-92684b97-44
0.357
MAR-TRE-c317dd82-70
0.353
MAR-TRE-c317dd82-92
0.349
MAR-TRE-4f781e27-7
0.349
MAR-TRE-4f781e27-49
0.346
MAR-TRE-4f781e27-85
0.338
MAR-TRE-e82e6c98-75
0.337
MAR-TRE-66ac689e-29
0.330
MAR-TRE-e82e6c98-29
0.329
MAR-TRE-e82e6c98-50
0.329
MAR-TRE-be9ff7d2-41
0.329
MAR-TRE-e82e6c98-92
0.326
MAR-TRE-4f781e27-96
0.326
MAR-TRE-4f781e27-19
0.325
MAR-TRE-66ac689e-47
0.322
MAR-TRE-4f781e27-48
0.322
MAR-TRE-c317dd82-55
0.321
MAR-TRE-8190bb11-16
0.321
MAR-TRE-be9ff7d2-5
0.316
MAR-TRE-66ac689e-67
0.315
MAR-TRE-8190bb11-46
0.315
MAR-TRE-8190bb11-81
0.314
MAR-TRE-8190bb11-82
0.314
MAR-TRE-9d18ae8c-74
0.314
MAR-TRE-e82e6c98-76
0.313
MAR-TRE-8190bb11-85
0.312
MAR-TRE-799db12b-65
0.312
MAR-TRE-be9ff7d2-67
0.312
MAR-TRE-66ac689e-59
0.310
MAR-TRE-e82e6c98-30
0.309
MAR-TRE-66ac689e-53
0.309
MAR-TRE-8190bb11-95
0.307
MAR-TRE-799db12b-44
0.307
MAR-TRE-4f781e27-43
0.306
MAR-TRE-92684b97-88
0.306
MAR-TRE-e82e6c98-54
0.305
MAR-TRE-4f781e27-23
0.304
MAR-TRE-be9ff7d2-39
0.304
MAR-TRE-92684b97-78
0.304
MAR-TRE-799db12b-89
0.303
MAR-TRE-e82e6c98-16
0.302
MAR-TRE-4f781e27-28
0.302
MAR-TRE-8190bb11-42
0.301
MAR-TRE-e82e6c98-51
0.301
MAR-TRE-e82e6c98-5
0.300
MAR-TRE-66ac689e-34
0.300
MAR-TRE-9d18ae8c-61
0.300
MAR-TRE-799db12b-20
0.299
MAR-TRE-be9ff7d2-40
0.299
MAR-TRE-92684b97-54
0.299
MAR-TRE-e82e6c98-12
0.299
MAR-TRE-4f781e27-16
0.299
MAR-TRE-799db12b-64
0.298
MAR-TRE-c317dd82-63
0.298
MAR-TRE-799db12b-35
0.298
MAR-TRE-4f781e27-84
0.298
MAR-TRE-92684b97-51
0.298
MAR-TRE-799db12b-24
0.297
MAR-TRE-92684b97-67
0.297
MAR-TRE-e82e6c98-10
0.297
MAR-TRE-8190bb11-24
0.296
MAR-TRE-c317dd82-75
0.296
MAR-TRE-c317dd82-22
0.296
MAR-TRE-be9ff7d2-18
0.295
MAR-TRE-66ac689e-37
0.295
MAR-TRE-4f781e27-36
0.295
MAR-TRE-4f781e27-100
0.295
MAR-TRE-4f781e27-58
0.295
MAR-TRE-e82e6c98-19
0.294
MAR-TRE-92684b97-75
0.294
MAR-TRE-c317dd82-26
0.293
MAR-TRE-c317dd82-74
0.293
MAR-TRE-8190bb11-39
0.293
MAR-TRE-be9ff7d2-37
0.293
MAR-TRE-8190bb11-40
0.292
MAR-TRE-92684b97-14
0.292
MAR-TRE-9d18ae8c-53
0.292
MAR-TRE-92684b97-89
0.292
MAR-TRE-be9ff7d2-43
0.291
MAR-TRE-92684b97-72
0.291
MAR-TRE-799db12b-84
0.291
MAR-TRE-8190bb11-13
0.289
MAR-TRE-be9ff7d2-90
0.289
MAR-TRE-799db12b-16
0.289
MAR-TRE-8190bb11-86
0.289
MAR-TRE-66ac689e-96
0.289
MAR-TRE-92684b97-53
0.289