Molecular Properties | |
SMILES: | CC(=O)NCc1cn(CC2(CNC(=O)c3cncnc3)CCOCC2)nn1 |
MW: | 373.19 |
Fraction sp3: | 0.53 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 123.92 |
cLogP: | -0.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-54
0.455
MAR-TRE-e82e6c98-16
0.447
MAR-TRE-be9ff7d2-60
0.387
MAR-TRE-c317dd82-37
0.376
MAR-TRE-be9ff7d2-91
0.375
MAR-TRE-c317dd82-86
0.374
MAR-TRE-c317dd82-25
0.368
MAR-TRE-c317dd82-11
0.367
MAR-TRE-c317dd82-12
0.361
MAR-TRE-8190bb11-39
0.354
MAR-TRE-4f781e27-53
0.354
MAR-TRE-a9136c7b-7
0.354
MAR-TRE-c317dd82-47
0.347
MAR-TRE-be9ff7d2-1
0.344
MAR-TRE-c317dd82-81
0.333
MAR-TRE-c317dd82-67
0.333
MAR-TRE-c317dd82-75
0.327
MAR-TRE-92684b97-52
0.326
MAR-TRE-a9136c7b-17
0.323
MAR-TRE-be9ff7d2-70
0.319
MAR-TRE-e82e6c98-12
0.319
MAR-TRE-be9ff7d2-66
0.319
MAR-TRE-c317dd82-83
0.317
MAR-TRE-c317dd82-40
0.316
MAR-TRE-c317dd82-22
0.314
MAR-TRE-9d18ae8c-13
0.313
MAR-TRE-9d18ae8c-55
0.313
MAR-TRE-92684b97-14
0.312
MAR-TRE-e82e6c98-8
0.309
MAR-TRE-be9ff7d2-79
0.309
MAR-TRE-4f781e27-22
0.309
MAR-TRE-be9ff7d2-98
0.309
MAR-TRE-e82e6c98-80
0.308
MAR-TRE-e82e6c98-64
0.306
MAR-TRE-4f781e27-88
0.306
MAR-TRE-be9ff7d2-81
0.306
MAR-TRE-e82e6c98-66
0.305
MAR-TRE-799db12b-38
0.305
MAR-TRE-e82e6c98-55
0.304
MAR-TRE-66ac689e-54
0.304
MAR-TRE-799db12b-64
0.304
MAR-TRE-8190bb11-33
0.302
MAR-TRE-8190bb11-2
0.302
MAR-TRE-66ac689e-69
0.301
MAR-TRE-9d18ae8c-66
0.301
MAR-TRE-a9136c7b-30
0.301
MAR-TRE-e82e6c98-68
0.300
MAR-TRE-c317dd82-7
0.300
MAR-TRE-9d18ae8c-32
0.300
MAR-TRE-be9ff7d2-76
0.298
MAR-TRE-799db12b-84
0.298
MAR-TRE-be9ff7d2-99
0.297
MAR-TRE-4f781e27-7
0.296
MAR-TRE-be9ff7d2-12
0.296
MAR-TRE-be9ff7d2-35
0.296
MAR-TRE-c317dd82-4
0.296
MAR-TRE-c317dd82-62
0.296
MAR-TRE-be9ff7d2-2
0.294
MAR-TRE-a9136c7b-27
0.294
MAR-TRE-92684b97-74
0.293
MAR-TRE-be9ff7d2-11
0.293
MAR-TRE-799db12b-52
0.293
MAR-TRE-8190bb11-82
0.292
MAR-TRE-e82e6c98-10
0.290
MAR-TRE-e82e6c98-40
0.290
MAR-TRE-e82e6c98-36
0.290
MAR-TRE-e82e6c98-42
0.289
MAR-TRE-4f781e27-49
0.289
MAR-TRE-e82e6c98-56
0.289
MAR-TRE-c317dd82-33
0.287
MAR-TRE-c317dd82-74
0.287
MAR-TRE-a9136c7b-11
0.287
MAR-TRE-be9ff7d2-33
0.287
MAR-TRE-e82e6c98-60
0.286
MAR-TRE-799db12b-54
0.286
MAR-TRE-e82e6c98-91
0.286
MAR-TRE-8190bb11-20
0.286
MAR-TRE-c317dd82-6
0.286
MAR-TRE-4f781e27-67
0.284
MAR-TRE-be9ff7d2-77
0.284
MAR-TRE-92684b97-72
0.284
MAR-TRE-c317dd82-18
0.284
MAR-TRE-be9ff7d2-16
0.284
MAR-TRE-c317dd82-55
0.284
MAR-TRE-be9ff7d2-5
0.283
MAR-TRE-799db12b-89
0.283
MAR-TRE-8190bb11-73
0.283
MAR-TRE-8190bb11-13
0.283
MAR-TRE-e82e6c98-47
0.283
MAR-TRE-e82e6c98-77
0.283
MAR-TRE-be9ff7d2-90
0.283
MAR-TRE-c317dd82-96
0.283
MAR-TRE-be9ff7d2-95
0.282
MAR-TRE-c317dd82-13
0.282
MAR-TRE-799db12b-57
0.282
MAR-TRE-c317dd82-35
0.281
MAR-TRE-e82e6c98-1
0.281
MAR-TRE-a9136c7b-54
0.281
MAR-TRE-a9136c7b-97
0.280
MAR-TRE-66ac689e-7
0.280