Molecular Properties | |
SMILES: | COCC1CCC(c2noc(CNC(=O)c3cncnc3)n2)O1 |
MW: | 319.13 |
Fraction sp3: | 0.5 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 112.26 |
cLogP: | 0.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-59
0.516
MAR-TRE-e82e6c98-2
0.416
MAR-TRE-c317dd82-32
0.388
MAR-TRE-c317dd82-75
0.388
MAR-TRE-8190bb11-83
0.387
MAR-TRE-be9ff7d2-51
0.376
MAR-TRE-a9136c7b-85
0.375
MAR-TRE-e82e6c98-61
0.374
MAR-TRE-c317dd82-50
0.365
MAR-TRE-be9ff7d2-67
0.358
MAR-TRE-4f781e27-11
0.353
MAR-TRE-9d18ae8c-55
0.347
MAR-TRE-66ac689e-69
0.347
MAR-TRE-92684b97-82
0.344
MAR-TRE-92684b97-54
0.341
MAR-TRE-e82e6c98-68
0.337
MAR-TRE-c317dd82-83
0.337
MAR-TRE-9d18ae8c-84
0.333
MAR-TRE-c317dd82-49
0.330
MAR-TRE-be9ff7d2-99
0.330
MAR-TRE-e82e6c98-16
0.330
MAR-TRE-4f781e27-22
0.330
MAR-TRE-a9136c7b-54
0.330
MAR-TRE-9d18ae8c-81
0.326
MAR-TRE-be9ff7d2-81
0.326
MAR-TRE-92684b97-96
0.326
MAR-TRE-799db12b-35
0.326
MAR-TRE-4f781e27-99
0.326
MAR-TRE-8190bb11-24
0.326
MAR-TRE-e82e6c98-34
0.323
MAR-TRE-e82e6c98-56
0.323
MAR-TRE-be9ff7d2-1
0.322
MAR-TRE-c317dd82-11
0.320
MAR-TRE-e82e6c98-97
0.320
MAR-TRE-92684b97-11
0.319
MAR-TRE-e82e6c98-48
0.319
MAR-TRE-8190bb11-13
0.318
MAR-TRE-be9ff7d2-90
0.318
MAR-TRE-8190bb11-9
0.317
MAR-TRE-e82e6c98-8
0.316
MAR-TRE-799db12b-89
0.316
MAR-TRE-66ac689e-12
0.315
MAR-TRE-799db12b-18
0.314
MAR-TRE-c317dd82-67
0.314
MAR-TRE-799db12b-7
0.312
MAR-TRE-e82e6c98-95
0.312
MAR-TRE-4f781e27-65
0.312
MAR-TRE-be9ff7d2-40
0.312
MAR-TRE-9d18ae8c-74
0.312
MAR-TRE-e82e6c98-23
0.311
MAR-TRE-8190bb11-85
0.310
MAR-TRE-be9ff7d2-60
0.309
MAR-TRE-e82e6c98-36
0.309
MAR-TRE-799db12b-33
0.309
MAR-TRE-4f781e27-76
0.309
MAR-TRE-e82e6c98-35
0.309
MAR-TRE-4f781e27-100
0.309
MAR-TRE-e82e6c98-6
0.306
MAR-TRE-4f781e27-83
0.306
MAR-TRE-e82e6c98-91
0.305
MAR-TRE-a9136c7b-24
0.305
MAR-TRE-c317dd82-6
0.305
MAR-TRE-799db12b-44
0.305
MAR-TRE-be9ff7d2-33
0.305
MAR-TRE-799db12b-84
0.304
MAR-TRE-a9136c7b-37
0.304
MAR-TRE-92684b97-52
0.303
MAR-TRE-a9136c7b-17
0.303
MAR-TRE-92684b97-78
0.302
MAR-TRE-92684b97-100
0.302
MAR-TRE-4f781e27-77
0.302
MAR-TRE-92684b97-83
0.301
MAR-TRE-be9ff7d2-17
0.301
MAR-TRE-be9ff7d2-95
0.300
MAR-TRE-8190bb11-42
0.300
MAR-TRE-be9ff7d2-11
0.300
MAR-TRE-92684b97-74
0.300
MAR-TRE-be9ff7d2-54
0.299
MAR-TRE-799db12b-52
0.299
MAR-TRE-66ac689e-67
0.299
MAR-TRE-4f781e27-88
0.299
MAR-TRE-e82e6c98-25
0.298
MAR-TRE-8190bb11-82
0.298
MAR-TRE-be9ff7d2-34
0.298
MAR-TRE-e82e6c98-12
0.298
MAR-TRE-799db12b-65
0.297
MAR-TRE-799db12b-98
0.297
MAR-TRE-9d18ae8c-89
0.297
MAR-TRE-e82e6c98-40
0.296
MAR-TRE-a9136c7b-100
0.296
MAR-TRE-92684b97-36
0.296
MAR-TRE-799db12b-59
0.296
MAR-TRE-be9ff7d2-82
0.296
MAR-TRE-e82e6c98-10
0.296
MAR-TRE-c317dd82-40
0.295
MAR-TRE-66ac689e-73
0.295
MAR-TRE-e82e6c98-42
0.295
MAR-TRE-e82e6c98-49
0.294
MAR-TRE-66ac689e-53
0.294
MAR-TRE-8190bb11-50
0.293