Molecular Properties | |
SMILES: | O=C(NCC1(OCCO)CCS(=O)(=O)C1)c1cncnc1 |
MW: | 315.09 |
Fraction sp3: | 0.58 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 118.48 |
cLogP: | -1.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAR-TRE-c317dd82-68
0.441
MAR-TRE-e82e6c98-41
0.429
MAR-TRE-4f781e27-22
0.390
MAR-TRE-c317dd82-86
0.380
MAR-TRE-c317dd82-47
0.379
MAR-TRE-92684b97-52
0.378
MAR-TRE-e82e6c98-47
0.378
MAR-TRE-9d18ae8c-13
0.373
MAR-TRE-be9ff7d2-19
0.372
MAR-TRE-92684b97-14
0.358
MAR-TRE-be9ff7d2-49
0.355
MAR-TRE-be9ff7d2-54
0.349
MAR-TRE-be9ff7d2-91
0.349
MAR-TRE-8190bb11-33
0.346
MAR-TRE-be9ff7d2-18
0.346
MAR-TRE-4f781e27-76
0.346
MAR-TRE-be9ff7d2-90
0.342
MAR-TRE-9d18ae8c-66
0.341
MAR-TRE-c317dd82-4
0.337
MAR-TRE-4f781e27-7
0.337
MAR-TRE-c317dd82-12
0.333
MAR-TRE-66ac689e-67
0.333
MAR-TRE-4f781e27-49
0.333
MAR-TRE-be9ff7d2-67
0.333
MAR-TRE-c317dd82-37
0.333
MAR-TRE-e82e6c98-85
0.330
MAR-TRE-e82e6c98-36
0.329
MAR-TRE-c317dd82-40
0.329
MAR-TRE-be9ff7d2-32
0.329
MAR-TRE-a9136c7b-7
0.326
MAR-TRE-9d18ae8c-55
0.326
MAR-TRE-c317dd82-25
0.326
MAR-TRE-92684b97-89
0.325
MAR-TRE-c317dd82-6
0.325
MAR-TRE-e82e6c98-48
0.325
MAR-TRE-e82e6c98-16
0.321
MAR-TRE-be9ff7d2-11
0.321
MAR-TRE-e82e6c98-26
0.321
MAR-TRE-e82e6c98-57
0.321
MAR-TRE-c317dd82-31
0.319
MAR-TRE-e82e6c98-99
0.318
MAR-TRE-92684b97-73
0.318
MAR-TRE-66ac689e-98
0.317
MAR-TRE-e82e6c98-76
0.316
MAR-TRE-e82e6c98-84
0.315
MAR-TRE-c317dd82-58
0.315
MAR-TRE-4f781e27-75
0.314
MAR-TRE-799db12b-33
0.314
MAR-TRE-e82e6c98-40
0.314
MAR-TRE-92684b97-44
0.313
MAR-TRE-e82e6c98-35
0.313
MAR-TRE-8190bb11-50
0.312
MAR-TRE-8190bb11-2
0.312
MAR-TRE-9d18ae8c-95
0.312
MAR-TRE-4f781e27-53
0.311
MAR-TRE-a9136c7b-80
0.310
MAR-TRE-4f781e27-43
0.309
MAR-TRE-be9ff7d2-44
0.309
MAR-TRE-92684b97-88
0.309
MAR-TRE-799db12b-84
0.309
MAR-TRE-e82e6c98-77
0.308
MAR-TRE-799db12b-40
0.307
MAR-TRE-92684b97-78
0.307
MAR-TRE-8190bb11-30
0.306
MAR-TRE-4f781e27-35
0.306
MAR-TRE-e82e6c98-14
0.306
MAR-TRE-66ac689e-28
0.305
MAR-TRE-92684b97-83
0.305
MAR-TRE-8190bb11-42
0.304
MAR-TRE-4f781e27-12
0.304
MAR-TRE-c317dd82-5
0.303
MAR-TRE-be9ff7d2-95
0.303
MAR-TRE-9d18ae8c-61
0.303
MAR-TRE-e82e6c98-2
0.302
MAR-TRE-92684b97-54
0.301
MAR-TRE-be9ff7d2-15
0.301
MAR-TRE-be9ff7d2-40
0.301
MAR-TRE-e82e6c98-12
0.301
MAR-TRE-4f781e27-16
0.301
MAR-TRE-e82e6c98-50
0.301
MAR-TRE-799db12b-4
0.301
MAR-TRE-8190bb11-96
0.300
MAR-TRE-4f781e27-84
0.300
MAR-TRE-e82e6c98-23
0.300
MAR-TRE-799db12b-65
0.300
MAR-TRE-c317dd82-63
0.300
MAR-TRE-be9ff7d2-41
0.300
MAR-TRE-e82e6c98-55
0.300
MAR-TRE-c317dd82-8
0.300
MAR-TRE-9d18ae8c-15
0.300
MAR-TRE-9d18ae8c-46
0.299
MAR-TRE-799db12b-59
0.299
MAR-TRE-92684b97-64
0.299
MAR-TRE-8190bb11-24
0.299
MAR-TRE-8190bb11-85
0.299
MAR-TRE-4f781e27-58
0.298
MAR-TRE-9d18ae8c-2
0.298
MAR-TRE-e82e6c98-56
0.298
MAR-TRE-66ac689e-37
0.298
MAR-TRE-66ac689e-73
0.298