Molecular Properties | |
SMILES: | Cc1n[nH]c(C2CCC(CNC(=O)c3cncnc3)O2)n1 |
MW: | 288.13 |
Fraction sp3: | 0.46 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.68 |
cLogP: | 0.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-50
0.732
MAR-TRE-a9136c7b-85
0.699
MAR-TRE-e82e6c98-61
0.648
MAR-TRE-e82e6c98-2
0.553
MAR-TRE-e82e6c98-48
0.418
MAR-TRE-66ac689e-67
0.388
MAR-TRE-c317dd82-40
0.386
MAR-TRE-e82e6c98-40
0.384
MAR-TRE-c317dd82-33
0.379
MAR-TRE-c317dd82-4
0.376
MAR-TRE-e82e6c98-67
0.376
MAR-TRE-be9ff7d2-99
0.360
MAR-TRE-c317dd82-49
0.358
MAR-TRE-e82e6c98-36
0.352
MAR-TRE-e82e6c98-10
0.352
MAR-TRE-a9136c7b-7
0.348
MAR-TRE-be9ff7d2-100
0.347
MAR-TRE-c317dd82-32
0.347
MAR-TRE-9d18ae8c-48
0.345
MAR-TRE-be9ff7d2-77
0.344
MAR-TRE-be9ff7d2-33
0.344
MAR-TRE-8190bb11-46
0.341
MAR-TRE-c317dd82-37
0.341
MAR-TRE-be9ff7d2-53
0.341
MAR-TRE-799db12b-18
0.340
MAR-TRE-4f781e27-76
0.337
MAR-TRE-e82e6c98-37
0.337
MAR-TRE-e82e6c98-62
0.337
MAR-TRE-8190bb11-80
0.333
MAR-TRE-c317dd82-6
0.333
MAR-TRE-c317dd82-25
0.333
MAR-TRE-e82e6c98-49
0.333
MAR-TRE-e82e6c98-3
0.330
MAR-TRE-c317dd82-51
0.330
MAR-TRE-e82e6c98-82
0.330
MAR-TRE-c317dd82-60
0.326
MAR-TRE-4f781e27-99
0.325
MAR-TRE-e82e6c98-4
0.323
MAR-TRE-be9ff7d2-80
0.323
MAR-TRE-e82e6c98-56
0.322
MAR-TRE-e82e6c98-68
0.321
MAR-TRE-799db12b-21
0.320
MAR-TRE-be9ff7d2-24
0.320
MAR-TRE-8190bb11-39
0.319
MAR-TRE-92684b97-46
0.319
MAR-TRE-92684b97-52
0.317
MAR-TRE-4f781e27-77
0.315
MAR-TRE-be9ff7d2-14
0.315
MAR-TRE-be9ff7d2-19
0.314
MAR-TRE-92684b97-83
0.314
MAR-TRE-4f781e27-22
0.314
MAR-TRE-be9ff7d2-96
0.313
MAR-TRE-a9136c7b-83
0.312
MAR-TRE-a9136c7b-23
0.312
MAR-TRE-c317dd82-12
0.312
MAR-TRE-be9ff7d2-91
0.312
MAR-TRE-799db12b-13
0.312
MAR-TRE-be9ff7d2-95
0.312
MAR-TRE-be9ff7d2-81
0.311
MAR-TRE-92684b97-96
0.311
MAR-TRE-799db12b-7
0.311
MAR-TRE-be9ff7d2-34
0.310
MAR-TRE-c317dd82-29
0.310
MAR-TRE-e82e6c98-84
0.309
MAR-TRE-4f781e27-49
0.309
MAR-TRE-c317dd82-83
0.309
MAR-TRE-be9ff7d2-67
0.308
MAR-TRE-4f781e27-75
0.308
MAR-TRE-4f781e27-100
0.307
MAR-TRE-e82e6c98-34
0.307
MAR-TRE-66ac689e-59
0.306
MAR-TRE-be9ff7d2-43
0.302
MAR-TRE-e82e6c98-75
0.302
MAR-TRE-92684b97-11
0.302
MAR-TRE-8190bb11-9
0.302
MAR-TRE-8190bb11-13
0.301
MAR-TRE-4f781e27-41
0.301
MAR-TRE-e82e6c98-47
0.301
MAR-TRE-799db12b-89
0.300
MAR-TRE-c317dd82-67
0.299
MAR-TRE-c317dd82-47
0.299
MAR-TRE-be9ff7d2-98
0.299
MAR-TRE-c317dd82-5
0.298
MAR-TRE-92684b97-74
0.298
MAR-TRE-be9ff7d2-11
0.298
MAR-TRE-c317dd82-20
0.297
MAR-TRE-be9ff7d2-29
0.297
MAR-TRE-be9ff7d2-54
0.297
MAR-TRE-be9ff7d2-92
0.297
MAR-TRE-66ac689e-34
0.297
MAR-TRE-9d18ae8c-81
0.297
MAR-TRE-be9ff7d2-74
0.296
MAR-TRE-a9136c7b-28
0.295
MAR-TRE-8190bb11-82
0.295
MAR-TRE-be9ff7d2-40
0.295
MAR-TRE-9d18ae8c-74
0.295
MAR-TRE-92684b97-54
0.295
MAR-TRE-e82e6c98-29
0.295
MAR-TRE-be9ff7d2-41
0.294
MAR-TRE-c317dd82-63
0.294