Molecular Properties | |
SMILES: | CCc1n[nH]c(C2CCC(CNC(=O)c3cncnc3)O2)n1 |
MW: | 302.15 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 105.68 |
cLogP: | 0.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-51
0.732
MAR-TRE-a9136c7b-85
0.671
MAR-TRE-e82e6c98-61
0.644
MAR-TRE-e82e6c98-2
0.532
MAR-TRE-be9ff7d2-99
0.393
MAR-TRE-c317dd82-49
0.389
MAR-TRE-e82e6c98-48
0.386
MAR-TRE-c317dd82-32
0.379
MAR-TRE-c317dd82-40
0.372
MAR-TRE-e82e6c98-40
0.371
MAR-TRE-c317dd82-33
0.367
MAR-TRE-e82e6c98-67
0.365
MAR-TRE-c317dd82-4
0.364
MAR-TRE-66ac689e-67
0.360
MAR-TRE-e82e6c98-36
0.356
MAR-TRE-c317dd82-25
0.352
MAR-TRE-a9136c7b-7
0.351
MAR-TRE-be9ff7d2-100
0.351
MAR-TRE-e82e6c98-3
0.347
MAR-TRE-799db12b-18
0.344
MAR-TRE-e82e6c98-10
0.341
MAR-TRE-be9ff7d2-80
0.340
MAR-TRE-e82e6c98-4
0.340
MAR-TRE-be9ff7d2-24
0.337
MAR-TRE-be9ff7d2-33
0.333
MAR-TRE-c317dd82-12
0.330
MAR-TRE-c317dd82-37
0.330
MAR-TRE-e82e6c98-37
0.326
MAR-TRE-e82e6c98-62
0.326
MAR-TRE-e82e6c98-49
0.323
MAR-TRE-c317dd82-6
0.322
MAR-TRE-c317dd82-51
0.320
MAR-TRE-be9ff7d2-77
0.319
MAR-TRE-be9ff7d2-14
0.319
MAR-TRE-be9ff7d2-74
0.317
MAR-TRE-be9ff7d2-96
0.317
MAR-TRE-c317dd82-47
0.316
MAR-TRE-c317dd82-60
0.316
MAR-TRE-8190bb11-46
0.315
MAR-TRE-799db12b-21
0.311
MAR-TRE-4f781e27-76
0.311
MAR-TRE-e82e6c98-56
0.311
MAR-TRE-8190bb11-39
0.309
MAR-TRE-8190bb11-80
0.309
MAR-TRE-92684b97-52
0.306
MAR-TRE-8190bb11-13
0.306
MAR-TRE-e82e6c98-82
0.305
MAR-TRE-4f781e27-77
0.304
MAR-TRE-be9ff7d2-79
0.304
MAR-TRE-4f781e27-11
0.304
MAR-TRE-be9ff7d2-19
0.303
MAR-TRE-4f781e27-22
0.303
MAR-TRE-92684b97-83
0.303
MAR-TRE-9d18ae8c-48
0.303
MAR-TRE-a9136c7b-83
0.303
MAR-TRE-be9ff7d2-95
0.302
MAR-TRE-be9ff7d2-91
0.302
MAR-TRE-799db12b-13
0.302
MAR-TRE-be9ff7d2-81
0.301
MAR-TRE-799db12b-7
0.301
MAR-TRE-c317dd82-29
0.301
MAR-TRE-be9ff7d2-34
0.300
MAR-TRE-e82e6c98-84
0.300
MAR-TRE-c317dd82-83
0.299
MAR-TRE-be9ff7d2-41
0.299
MAR-TRE-4f781e27-99
0.299
MAR-TRE-8190bb11-85
0.298
MAR-TRE-8190bb11-2
0.297
MAR-TRE-e82e6c98-34
0.297
MAR-TRE-c317dd82-34
0.297
MAR-TRE-be9ff7d2-67
0.296
MAR-TRE-be9ff7d2-75
0.296
MAR-TRE-e82e6c98-71
0.295
MAR-TRE-92684b97-46
0.295
MAR-TRE-e82e6c98-6
0.295
MAR-TRE-9d18ae8c-76
0.294
MAR-TRE-e82e6c98-68
0.294
MAR-TRE-a9136c7b-29
0.293
MAR-TRE-8190bb11-9
0.293
MAR-TRE-e82e6c98-22
0.292
MAR-TRE-4f781e27-41
0.291
MAR-TRE-92684b97-62
0.290
MAR-TRE-c317dd82-67
0.290
MAR-TRE-92684b97-78
0.289
MAR-TRE-92684b97-39
0.289
MAR-TRE-c317dd82-85
0.289
MAR-TRE-c317dd82-5
0.289
MAR-TRE-c317dd82-20
0.288
MAR-TRE-92684b97-96
0.287
MAR-TRE-be9ff7d2-54
0.287
MAR-TRE-799db12b-4
0.287
MAR-TRE-92684b97-57
0.286
MAR-TRE-be9ff7d2-40
0.286
MAR-TRE-e82e6c98-42
0.284
MAR-TRE-4f781e27-75
0.284
MAR-TRE-be9ff7d2-60
0.284
MAR-TRE-799db12b-59
0.284
MAR-TRE-e82e6c98-23
0.284
MAR-TRE-4f781e27-100
0.283
MAR-TRE-c317dd82-86
0.283