Molecular Properties | |
SMILES: | O=C(NCC1CCC(c2ncn[nH]2)O1)c1cncnc1 |
MW: | 274.12 |
Fraction sp3: | 0.42 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.68 |
cLogP: | 0.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-51
0.648
MAR-TRE-c317dd82-50
0.644
MAR-TRE-a9136c7b-85
0.635
MAR-TRE-e82e6c98-2
0.597
MAR-TRE-e82e6c98-48
0.416
MAR-TRE-66ac689e-67
0.402
MAR-TRE-c317dd82-40
0.400
MAR-TRE-c317dd82-4
0.390
MAR-TRE-e82e6c98-40
0.381
MAR-TRE-c317dd82-33
0.376
MAR-TRE-e82e6c98-67
0.374
MAR-TRE-e82e6c98-36
0.365
MAR-TRE-be9ff7d2-100
0.359
MAR-TRE-799db12b-18
0.352
MAR-TRE-e82e6c98-10
0.349
MAR-TRE-c317dd82-29
0.347
MAR-TRE-e82e6c98-3
0.341
MAR-TRE-be9ff7d2-81
0.337
MAR-TRE-799db12b-7
0.337
MAR-TRE-be9ff7d2-96
0.337
MAR-TRE-4f781e27-76
0.333
MAR-TRE-e82e6c98-4
0.333
MAR-TRE-e82e6c98-37
0.333
MAR-TRE-be9ff7d2-80
0.333
MAR-TRE-be9ff7d2-24
0.330
MAR-TRE-e82e6c98-49
0.330
MAR-TRE-8190bb11-39
0.330
MAR-TRE-c317dd82-6
0.329
MAR-TRE-92684b97-52
0.329
MAR-TRE-c317dd82-51
0.326
MAR-TRE-be9ff7d2-77
0.326
MAR-TRE-be9ff7d2-14
0.326
MAR-TRE-be9ff7d2-19
0.325
MAR-TRE-c317dd82-60
0.322
MAR-TRE-8190bb11-46
0.322
MAR-TRE-be9ff7d2-41
0.321
MAR-TRE-be9ff7d2-67
0.320
MAR-TRE-e82e6c98-62
0.319
MAR-TRE-799db12b-59
0.318
MAR-TRE-e82e6c98-56
0.318
MAR-TRE-799db12b-21
0.317
MAR-TRE-a9136c7b-7
0.315
MAR-TRE-92684b97-46
0.315
MAR-TRE-c317dd82-49
0.312
MAR-TRE-be9ff7d2-33
0.312
MAR-TRE-4f781e27-41
0.312
MAR-TRE-e82e6c98-82
0.311
MAR-TRE-be9ff7d2-99
0.311
MAR-TRE-4f781e27-77
0.310
MAR-TRE-4f781e27-22
0.310
MAR-TRE-92684b97-83
0.310
MAR-TRE-9d18ae8c-48
0.310
MAR-TRE-a9136c7b-83
0.309
MAR-TRE-c317dd82-5
0.308
MAR-TRE-c317dd82-12
0.308
MAR-TRE-be9ff7d2-74
0.308
MAR-TRE-be9ff7d2-95
0.308
MAR-TRE-799db12b-13
0.308
MAR-TRE-4f781e27-88
0.307
MAR-TRE-e82e6c98-84
0.305
MAR-TRE-4f781e27-99
0.305
MAR-TRE-8190bb11-24
0.304
MAR-TRE-be9ff7d2-60
0.303
MAR-TRE-4f781e27-75
0.303
MAR-TRE-c317dd82-86
0.302
MAR-TRE-e82e6c98-35
0.302
MAR-TRE-4f781e27-100
0.302
MAR-TRE-8190bb11-2
0.302
MAR-TRE-c317dd82-32
0.302
MAR-TRE-be9ff7d2-75
0.301
MAR-TRE-9d18ae8c-76
0.300
MAR-TRE-c317dd82-25
0.300
MAR-TRE-e82e6c98-6
0.300
MAR-TRE-9d18ae8c-84
0.299
MAR-TRE-be9ff7d2-89
0.299
MAR-TRE-8190bb11-9
0.298
MAR-TRE-be9ff7d2-43
0.298
MAR-TRE-4f781e27-64
0.298
MAR-TRE-9d18ae8c-33
0.298
MAR-TRE-e82e6c98-22
0.298
MAR-TRE-8190bb11-13
0.296
MAR-TRE-be9ff7d2-90
0.296
MAR-TRE-e82e6c98-47
0.296
MAR-TRE-4f781e27-11
0.296
MAR-TRE-799db12b-89
0.295
MAR-TRE-92684b97-78
0.295
MAR-TRE-c317dd82-67
0.295
MAR-TRE-4f781e27-28
0.294
MAR-TRE-c317dd82-92
0.294
MAR-TRE-a9136c7b-6
0.294
MAR-TRE-8190bb11-42
0.293
MAR-TRE-be9ff7d2-92
0.292
MAR-TRE-799db12b-52
0.292
MAR-TRE-be9ff7d2-54
0.292
MAR-TRE-92684b97-37
0.292
MAR-TRE-c317dd82-81
0.292
MAR-TRE-c317dd82-37
0.292
MAR-TRE-e82e6c98-25
0.292
MAR-TRE-66ac689e-26
0.291
MAR-TRE-be9ff7d2-34
0.291