Molecular Properties | |
SMILES: | O=C(NCC1CCC(c2nc[nH]n2)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-e82e6c98-61
0.597
MAR-TRE-be9ff7d2-51
0.553
MAR-TRE-a9136c7b-85
0.544
MAR-TRE-c317dd82-50
0.532
MAR-TRE-e82e6c98-67
0.416
MAR-TRE-66ac689e-67
0.415
MAR-TRE-c317dd82-40
0.412
MAR-TRE-e82e6c98-48
0.410
MAR-TRE-e82e6c98-40
0.410
MAR-TRE-c317dd82-4
0.402
MAR-TRE-c317dd82-86
0.378
MAR-TRE-e82e6c98-36
0.376
MAR-TRE-c317dd82-33
0.372
MAR-TRE-c317dd82-6
0.357
MAR-TRE-92684b97-83
0.354
MAR-TRE-799db12b-18
0.348
MAR-TRE-4f781e27-76
0.345
MAR-TRE-c317dd82-29
0.344
MAR-TRE-be9ff7d2-14
0.337
MAR-TRE-8190bb11-9
0.337
MAR-TRE-be9ff7d2-95
0.333
MAR-TRE-8190bb11-46
0.333
MAR-TRE-c317dd82-60
0.333
MAR-TRE-e82e6c98-37
0.330
MAR-TRE-e82e6c98-10
0.330
MAR-TRE-e82e6c98-56
0.329
MAR-TRE-799db12b-21
0.327
MAR-TRE-be9ff7d2-100
0.326
MAR-TRE-8190bb11-2
0.326
MAR-TRE-8190bb11-39
0.326
MAR-TRE-92684b97-46
0.326
MAR-TRE-be9ff7d2-43
0.325
MAR-TRE-4f781e27-41
0.325
MAR-TRE-4f781e27-85
0.325
MAR-TRE-92684b97-52
0.325
MAR-TRE-92684b97-78
0.325
MAR-TRE-be9ff7d2-33
0.323
MAR-TRE-e82e6c98-3
0.323
MAR-TRE-c317dd82-51
0.323
MAR-TRE-e82e6c98-82
0.322
MAR-TRE-be9ff7d2-19
0.321
MAR-TRE-4f781e27-22
0.321
MAR-TRE-be9ff7d2-96
0.320
MAR-TRE-a9136c7b-83
0.319
MAR-TRE-c317dd82-5
0.319
MAR-TRE-be9ff7d2-81
0.318
MAR-TRE-799db12b-7
0.318
MAR-TRE-e82e6c98-23
0.317
MAR-TRE-be9ff7d2-41
0.317
MAR-TRE-c317dd82-20
0.316
MAR-TRE-e82e6c98-4
0.316
MAR-TRE-be9ff7d2-67
0.316
MAR-TRE-e82e6c98-62
0.315
MAR-TRE-799db12b-59
0.315
MAR-TRE-be9ff7d2-60
0.315
MAR-TRE-e82e6c98-49
0.312
MAR-TRE-be9ff7d2-75
0.312
MAR-TRE-4f781e27-64
0.310
MAR-TRE-be9ff7d2-90
0.309
MAR-TRE-be9ff7d2-77
0.308
MAR-TRE-4f781e27-77
0.307
MAR-TRE-e82e6c98-16
0.306
MAR-TRE-9d18ae8c-48
0.306
MAR-TRE-799db12b-13
0.304
MAR-TRE-c317dd82-12
0.304
MAR-TRE-be9ff7d2-91
0.304
MAR-TRE-a9136c7b-6
0.304
SAN-PRS-52b81272-1
0.304
MAR-TRE-be9ff7d2-74
0.304
MAR-TRE-be9ff7d2-34
0.302
MAR-TRE-be9ff7d2-70
0.302
MAR-TRE-e82e6c98-84
0.302
MAR-TRE-be9ff7d2-80
0.302
MAR-TRE-4f781e27-99
0.301
MAR-TRE-e82e6c98-85
0.301
MAR-TRE-4f781e27-75
0.300
MAR-TRE-c317dd82-32
0.299
MAR-TRE-be9ff7d2-24
0.299
MAR-TRE-e82e6c98-34
0.299
MAR-TRE-e82e6c98-35
0.299
MAR-TRE-4f781e27-96
0.299
MAR-TRE-4f781e27-100
0.299
MAR-TRE-c317dd82-34
0.299
MAR-TRE-a9136c7b-7
0.298
MAR-TRE-c317dd82-11
0.298
MAR-TRE-e82e6c98-6
0.297
MAR-TRE-c317dd82-25
0.297
MAR-TRE-c317dd82-49
0.296
MAR-TRE-9d18ae8c-84
0.295
MAR-TRE-8190bb11-95
0.295
MAR-TRE-e82e6c98-65
0.294
MAR-TRE-be9ff7d2-69
0.294
MAR-TRE-e82e6c98-22
0.294
MAR-TRE-be9ff7d2-99
0.293
MAR-TRE-e82e6c98-77
0.293
MAR-TRE-e82e6c98-47
0.293
MAR-TRE-be9ff7d2-88
0.293
MAR-TRE-799db12b-89
0.292
MAR-TRE-92684b97-82
0.292
MAR-TRE-c317dd82-67
0.292