Molecular Properties | |
SMILES: | Cc1nc(CCCNC(=O)c2cncnc2)sc1C(=O)O |
MW: | 306.08 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 105.07 |
cLogP: | 1.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
MAR-TRE-e82e6c98-75
0.797
MAR-TRE-66ac689e-59
0.522
MAR-TRE-e82e6c98-26
0.451
MAR-TRE-e82e6c98-68
0.443
MAR-TRE-be9ff7d2-5
0.412
MAR-TRE-92684b97-74
0.411
MAR-TRE-be9ff7d2-98
0.408
MAR-TRE-e82e6c98-23
0.405
MAR-TRE-4f781e27-58
0.397
MAR-TRE-a9136c7b-23
0.395
MAR-TRE-be9ff7d2-41
0.387
MAR-TRE-8190bb11-96
0.387
MAR-TRE-be9ff7d2-40
0.385
MAR-TRE-be9ff7d2-1
0.382
MAR-TRE-c317dd82-92
0.372
MAR-TRE-4f781e27-7
0.370
MAR-TRE-e82e6c98-76
0.368
MAR-TRE-e82e6c98-50
0.367
MAR-TRE-4f781e27-16
0.367
MAR-TRE-e82e6c98-51
0.365
MAR-TRE-8190bb11-33
0.362
MAR-TRE-e82e6c98-47
0.360
MAR-TRE-8190bb11-40
0.358
MAR-TRE-4f781e27-72
0.355
MAR-TRE-9d18ae8c-89
0.351
MAR-TRE-4f781e27-50
0.351
MAR-TRE-be9ff7d2-34
0.350
MAR-TRE-4f781e27-81
0.349
MAR-TRE-4f781e27-82
0.349
MAR-TRE-be9ff7d2-32
0.346
MAR-TRE-be9ff7d2-73
0.345
MAR-TRE-4f781e27-85
0.342
MAR-TRE-e82e6c98-22
0.342
MAR-TRE-8190bb11-55
0.342
MAR-TRE-8190bb11-95
0.341
MAR-TRE-c317dd82-26
0.341
MAR-TRE-66ac689e-53
0.341
MAR-TRE-be9ff7d2-11
0.338
MAR-TRE-e82e6c98-11
0.338
MAR-TRE-4f781e27-23
0.337
MAR-TRE-e82e6c98-12
0.333
MAR-TRE-be9ff7d2-67
0.333
MAR-TRE-92684b97-40
0.333
MAR-TRE-4f781e27-49
0.333
MAR-TRE-92684b97-64
0.329
MAR-TRE-799db12b-68
0.329
MAR-TRE-92684b97-67
0.329
MAR-TRE-4f781e27-19
0.329
MAR-TRE-4f781e27-83
0.326
MAR-TRE-be9ff7d2-37
0.326
MAR-TRE-4f781e27-48
0.326
MAR-TRE-66ac689e-35
0.325
MAR-TRE-799db12b-84
0.325
MAR-TRE-92684b97-78
0.324
MAR-TRE-a9136c7b-17
0.322
MAR-TRE-8190bb11-30
0.321
MAR-TRE-e82e6c98-16
0.321
MAR-TRE-a9136c7b-54
0.321
MAR-TRE-be9ff7d2-19
0.321
MAR-TRE-be9ff7d2-49
0.321
MAR-TRE-8190bb11-42
0.321
MAR-TRE-be9ff7d2-92
0.318
MAR-TRE-4f781e27-65
0.318
MAR-TRE-92684b97-54
0.317
MAR-TRE-a9136c7b-28
0.317
MAR-TRE-799db12b-35
0.316
MAR-TRE-4f781e27-99
0.316
MAR-TRE-8190bb11-85
0.316
MAR-TRE-8190bb11-24
0.316
MAR-TRE-e82e6c98-92
0.315
MAR-TRE-be9ff7d2-82
0.314
MAR-TRE-a9136c7b-100
0.314
MAR-TRE-e82e6c98-45
0.312
MAR-TRE-c317dd82-22
0.312
MAR-TRE-e82e6c98-27
0.312
MAR-TRE-92684b97-8
0.311
MAR-TRE-66ac689e-47
0.310
MAR-TRE-a9136c7b-24
0.310
MAR-TRE-c317dd82-70
0.310
MAR-TRE-92684b97-11
0.309
MAR-TRE-be9ff7d2-43
0.309
MAR-TRE-e82e6c98-77
0.308
MAR-TRE-be9ff7d2-90
0.308
MAR-TRE-92684b97-52
0.308
MAR-TRE-8190bb11-13
0.308
MAR-TRE-8190bb11-64
0.308
MAR-TRE-be9ff7d2-39
0.307
MAR-TRE-e82e6c98-93
0.306
MAR-TRE-4f781e27-28
0.305
MAR-TRE-9d18ae8c-48
0.305
MAR-TRE-66ac689e-12
0.305
MAR-TRE-be9ff7d2-17
0.305
MAR-TRE-4f781e27-39
0.304
MAR-TRE-e82e6c98-57
0.304
MAR-TRE-e82e6c98-80
0.304
MAR-TRE-8190bb11-31
0.303
MAR-TRE-e82e6c98-64
0.302
MAR-TRE-8190bb11-46
0.302
MAR-TRE-92684b97-96
0.302
MAR-TRE-c317dd82-37
0.302