Molecular Properties | |
SMILES: | O=C(NCCC1CCC2(CCOCC2)CO1)c1cncnc1 |
MW: | 305.17 |
Fraction sp3: | 0.69 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 73.34 |
cLogP: | 1.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-40
0.438
MAR-TRE-c317dd82-4
0.410
MAR-TRE-be9ff7d2-41
0.392
MAR-TRE-be9ff7d2-54
0.388
MAR-TRE-92684b97-37
0.388
MAR-TRE-c317dd82-86
0.386
MAR-TRE-e82e6c98-40
0.384
MAR-TRE-a9136c7b-7
0.378
MAR-TRE-c317dd82-22
0.376
MAR-TRE-8190bb11-2
0.376
MAR-TRE-c317dd82-37
0.372
MAR-TRE-be9ff7d2-91
0.371
MAR-TRE-92684b97-52
0.367
MAR-TRE-c317dd82-25
0.364
MAR-TRE-4f781e27-53
0.363
MAR-TRE-be9ff7d2-19
0.361
MAR-TRE-e82e6c98-66
0.357
MAR-TRE-be9ff7d2-81
0.356
MAR-TRE-c317dd82-12
0.356
MAR-TRE-c317dd82-31
0.354
MAR-TRE-e82e6c98-56
0.353
MAR-TRE-8190bb11-33
0.353
MAR-TRE-e82e6c98-36
0.352
MAR-TRE-799db12b-4
0.351
MAR-TRE-e82e6c98-22
0.349
MAR-TRE-e82e6c98-48
0.349
MAR-TRE-8190bb11-20
0.349
MAR-TRE-4f781e27-7
0.345
MAR-TRE-e82e6c98-55
0.341
MAR-TRE-be9ff7d2-66
0.341
MAR-TRE-e82e6c98-50
0.341
MAR-TRE-a9136c7b-97
0.341
MAR-TRE-799db12b-7
0.341
MAR-TRE-799db12b-18
0.340
MAR-TRE-c317dd82-47
0.340
MAR-TRE-9d18ae8c-76
0.338
MAR-TRE-e82e6c98-34
0.337
MAR-TRE-4f781e27-76
0.337
MAR-TRE-e82e6c98-85
0.337
MAR-TRE-be9ff7d2-69
0.333
MAR-TRE-be9ff7d2-90
0.333
MAR-TRE-e82e6c98-6
0.333
MAR-TRE-e82e6c98-47
0.333
MAR-TRE-799db12b-54
0.333
MAR-TRE-4f781e27-85
0.333
MAR-TRE-a9136c7b-11
0.330
MAR-TRE-c317dd82-49
0.330
MAR-TRE-c317dd82-69
0.330
MAR-TRE-be9ff7d2-79
0.330
MAR-TRE-e82e6c98-61
0.330
MAR-TRE-c317dd82-35
0.329
MAR-TRE-4f781e27-22
0.329
MAR-TRE-e82e6c98-26
0.329
MAR-TRE-799db12b-51
0.326
MAR-TRE-c317dd82-81
0.326
MAR-TRE-4f781e27-88
0.326
MAR-TRE-e82e6c98-2
0.326
MAR-TRE-be9ff7d2-40
0.326
MAR-TRE-c317dd82-63
0.325
MAR-TRE-e82e6c98-76
0.325
MAR-TRE-8190bb11-96
0.325
MAR-TRE-e82e6c98-10
0.322
MAR-TRE-be9ff7d2-60
0.322
MAR-TRE-799db12b-59
0.322
MAR-TRE-92684b97-19
0.322
MAR-TRE-66ac689e-2
0.322
MAR-TRE-4f781e27-19
0.321
MAR-TRE-e82e6c98-83
0.321
MAR-TRE-4f781e27-33
0.321
MAR-TRE-a9136c7b-38
0.320
MAR-TRE-be9ff7d2-51
0.319
MAR-TRE-66ac689e-35
0.318
MAR-TRE-e82e6c98-81
0.318
MAR-TRE-be9ff7d2-76
0.318
MAR-TRE-c317dd82-68
0.316
MAR-TRE-8190bb11-64
0.316
MAR-TRE-66ac689e-91
0.315
MAR-TRE-be9ff7d2-99
0.315
MAR-TRE-a9136c7b-17
0.315
MAR-TRE-8190bb11-100
0.315
MAR-TRE-c317dd82-62
0.315
MAR-TRE-799db12b-89
0.315
MAR-TRE-e82e6c98-52
0.315
MAR-TRE-e82e6c98-1
0.314
MAR-TRE-c317dd82-92
0.314
MAR-TRE-9d18ae8c-48
0.314
MAR-TRE-e82e6c98-57
0.313
MAR-TRE-be9ff7d2-5
0.312
MAR-TRE-c317dd82-67
0.312
MAR-TRE-be9ff7d2-2
0.312
MAR-TRE-a9136c7b-27
0.312
MAR-TRE-e82e6c98-51
0.312
MAR-TRE-e82e6c98-64
0.311
MAR-TRE-66ac689e-67
0.311
MAR-TRE-66ac689e-90
0.311
MAR-TRE-4f781e27-81
0.311
MAR-TRE-4f781e27-16
0.310
MAR-TRE-a9136c7b-28
0.310
MAR-TRE-c317dd82-8
0.310
MAR-TRE-c317dd82-23
0.309