Molecular Properties | |
SMILES: | CN(C)S(=O)(=O)NCC1(CNC(=O)c2cncnc2)CCOCC1 |
MW: | 357.15 |
Fraction sp3: | 0.64 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 113.52 |
cLogP: | -0.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
MAR-TRE-c317dd82-31
0.455
MAR-TRE-c317dd82-37
0.432
MAR-TRE-c317dd82-86
0.430
MAR-TRE-c317dd82-25
0.422
MAR-TRE-4f781e27-53
0.419
MAR-TRE-be9ff7d2-91
0.412
MAR-TRE-c317dd82-12
0.412
MAR-TRE-4f781e27-77
0.402
MAR-TRE-a9136c7b-7
0.402
MAR-TRE-92684b97-52
0.395
MAR-TRE-c317dd82-47
0.393
MAR-TRE-8190bb11-39
0.388
MAR-TRE-c317dd82-40
0.378
MAR-TRE-9d18ae8c-66
0.371
MAR-TRE-a9136c7b-54
0.370
MAR-TRE-4f781e27-22
0.370
MAR-TRE-be9ff7d2-79
0.369
MAR-TRE-c317dd82-62
0.369
MAR-TRE-c317dd82-67
0.363
MAR-TRE-92684b97-14
0.357
MAR-TRE-9d18ae8c-13
0.356
MAR-TRE-c317dd82-4
0.353
MAR-TRE-a9136c7b-17
0.352
MAR-TRE-799db12b-35
0.350
MAR-TRE-e82e6c98-55
0.350
MAR-TRE-e82e6c98-66
0.349
MAR-TRE-be9ff7d2-66
0.349
MAR-TRE-be9ff7d2-70
0.349
MAR-TRE-a9136c7b-97
0.349
MAR-TRE-c317dd82-81
0.349
MAR-TRE-be9ff7d2-2
0.348
MAR-TRE-e82e6c98-56
0.345
MAR-TRE-4f781e27-76
0.345
MAR-TRE-e82e6c98-40
0.345
MAR-TRE-799db12b-64
0.344
MAR-TRE-799db12b-54
0.341
MAR-TRE-c317dd82-22
0.340
MAR-TRE-be9ff7d2-17
0.337
MAR-TRE-66ac689e-5
0.337
MAR-TRE-c317dd82-49
0.337
MAR-TRE-e82e6c98-41
0.333
MAR-TRE-8190bb11-24
0.333
MAR-TRE-4f781e27-99
0.333
MAR-TRE-799db12b-13
0.333
MAR-TRE-be9ff7d2-41
0.333
MAR-TRE-e82e6c98-10
0.330
MAR-TRE-66ac689e-73
0.329
MAR-TRE-8190bb11-33
0.329
MAR-TRE-e82e6c98-83
0.329
MAR-TRE-c317dd82-73
0.329
MAR-TRE-8190bb11-2
0.326
MAR-TRE-9d18ae8c-36
0.326
MAR-TRE-c317dd82-74
0.326
MAR-TRE-e82e6c98-6
0.326
MAR-TRE-9d18ae8c-55
0.326
MAR-TRE-a9136c7b-24
0.326
MAR-TRE-8190bb11-20
0.326
MAR-TRE-e82e6c98-48
0.325
MAR-TRE-c317dd82-87
0.325
MAR-TRE-92684b97-11
0.325
MAR-TRE-be9ff7d2-72
0.325
MAR-TRE-be9ff7d2-88
0.325
MAR-TRE-e82e6c98-47
0.325
MAR-TRE-8190bb11-13
0.325
MAR-TRE-4f781e27-41
0.325
MAR-TRE-8190bb11-100
0.322
MAR-TRE-4f781e27-67
0.322
MAR-TRE-4f781e27-7
0.322
MAR-TRE-66ac689e-12
0.321
MAR-TRE-e82e6c98-1
0.321
MAR-TRE-c317dd82-100
0.321
MAR-TRE-c317dd82-88
0.321
MAR-TRE-a9136c7b-27
0.319
MAR-TRE-c317dd82-5
0.319
MAR-TRE-be9ff7d2-81
0.318
MAR-TRE-e82e6c98-64
0.318
MAR-TRE-be9ff7d2-29
0.318
MAR-TRE-4f781e27-16
0.318
MAR-TRE-9d18ae8c-96
0.316
MAR-TRE-e82e6c98-85
0.315
MAR-TRE-e82e6c98-36
0.315
MAR-TRE-799db12b-24
0.315
MAR-TRE-be9ff7d2-60
0.315
MAR-TRE-e82e6c98-34
0.314
MAR-TRE-e82e6c98-79
0.314
MAR-TRE-92684b97-19
0.314
MAR-TRE-4f781e27-33
0.313
MAR-TRE-66ac689e-59
0.313
MAR-TRE-9d18ae8c-76
0.312
MAR-TRE-c317dd82-32
0.312
MAR-TRE-c317dd82-75
0.312
MAR-TRE-799db12b-34
0.311
MAR-TRE-66ac689e-47
0.311
MAR-TRE-a9136c7b-80
0.311
MAR-TRE-4f781e27-55
0.310
MAR-TRE-799db12b-88
0.310
MAR-TRE-66ac689e-55
0.310
MAR-TRE-c317dd82-6
0.310
MAR-TRE-4f781e27-37
0.310
MAR-TRE-9d18ae8c-84
0.310