Molecular Properties | |
SMILES: | O=C(NCc1nnc(CCc2ccccc2)o1)c1cncnc1 |
MW: | 309.12 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 93.8 |
cLogP: | 1.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-48
0.475
MAR-TRE-9d18ae8c-52
0.422
MAR-TRE-8190bb11-40
0.407
MAR-TRE-8190bb11-24
0.405
MAR-TRE-9d18ae8c-89
0.403
MAR-TRE-9d18ae8c-6
0.402
MAR-TRE-92684b97-78
0.397
MAR-TRE-9d18ae8c-18
0.393
MAR-TRE-66ac689e-33
0.388
MAR-TRE-4f781e27-28
0.388
MAR-TRE-4f781e27-49
0.387
MAR-TRE-92684b97-51
0.385
MAR-TRE-66ac689e-73
0.378
MAR-TRE-4f781e27-100
0.378
MAR-TRE-8190bb11-13
0.377
MAR-TRE-9d18ae8c-50
0.376
MAR-TRE-799db12b-3
0.376
MAR-TRE-9d18ae8c-46
0.376
MAR-TRE-799db12b-44
0.373
MAR-TRE-92684b97-81
0.373
MAR-TRE-be9ff7d2-17
0.370
MAR-TRE-92684b97-82
0.369
MAR-TRE-799db12b-16
0.369
MAR-TRE-8190bb11-85
0.368
MAR-TRE-8190bb11-83
0.368
MAR-TRE-e82e6c98-23
0.367
MAR-TRE-4f781e27-99
0.367
MAR-TRE-799db12b-35
0.367
MAR-TRE-92684b97-54
0.366
MAR-TRE-8190bb11-81
0.366
MAR-TRE-8190bb11-82
0.366
MAR-TRE-66ac689e-34
0.365
MAR-TRE-799db12b-51
0.364
MAR-TRE-799db12b-18
0.363
MAR-TRE-8190bb11-50
0.362
MAR-TRE-66ac689e-37
0.361
MAR-TRE-799db12b-24
0.360
MAR-TRE-9d18ae8c-54
0.360
MAR-TRE-799db12b-97
0.360
MAR-TRE-66ac689e-54
0.360
MAR-TRE-92684b97-6
0.360
MAR-TRE-92684b97-11
0.358
MAR-TRE-9d18ae8c-53
0.357
MAR-TRE-8190bb11-80
0.356
MAR-TRE-9d18ae8c-30
0.356
MAR-TRE-8190bb11-42
0.354
MAR-TRE-66ac689e-12
0.354
MAR-TRE-799db12b-21
0.354
MAR-TRE-799db12b-27
0.353
MAR-TRE-799db12b-89
0.353
MAR-TRE-66ac689e-1
0.352
MAR-TRE-be9ff7d2-67
0.351
MAR-TRE-9d18ae8c-74
0.349
MAR-TRE-66ac689e-29
0.349
MAR-TRE-c317dd82-81
0.349
MAR-TRE-8190bb11-46
0.349
MAR-TRE-4f781e27-88
0.349
MAR-TRE-8190bb11-31
0.348
MAR-TRE-9d18ae8c-43
0.348
MAR-TRE-e82e6c98-68
0.346
MAR-TRE-be9ff7d2-1
0.346
MAR-TRE-66ac689e-83
0.345
MAR-TRE-92684b97-44
0.345
MAR-TRE-92684b97-64
0.345
MAR-TRE-799db12b-33
0.345
MAR-TRE-8190bb11-34
0.345
MAR-TRE-799db12b-2
0.345
MAR-TRE-799db12b-14
0.344
MAR-TRE-799db12b-4
0.344
MAR-TRE-be9ff7d2-90
0.342
MAR-TRE-e82e6c98-54
0.342
MAR-TRE-4f781e27-92
0.341
MAR-TRE-66ac689e-20
0.341
MAR-TRE-9d18ae8c-36
0.341
MAR-TRE-8190bb11-21
0.341
MAR-TRE-4f781e27-2
0.341
MAR-TRE-4f781e27-83
0.341
MAR-TRE-9d18ae8c-49
0.341
MAR-TRE-66ac689e-53
0.341
MAR-TRE-be9ff7d2-11
0.338
MAR-TRE-8190bb11-62
0.338
MAR-TRE-4f781e27-32
0.338
MAR-TRE-92684b97-74
0.338
MAR-TRE-a9136c7b-54
0.337
MAR-TRE-e82e6c98-16
0.337
MAR-TRE-92684b97-53
0.337
MAR-TRE-9d18ae8c-7
0.337
MAR-TRE-be9ff7d2-34
0.333
MAR-TRE-92684b97-96
0.333
MAR-TRE-e82e6c98-95
0.333
MAR-TRE-799db12b-67
0.333
MAR-TRE-799db12b-69
0.333
MAR-TRE-66ac689e-7
0.333
MAR-TRE-66ac689e-26
0.333
MAR-TRE-8190bb11-8
0.333
MAR-TRE-9d18ae8c-11
0.333
MAR-TRE-9d18ae8c-34
0.330
MAR-TRE-799db12b-64
0.330
MAR-TRE-799db12b-65
0.330
MAR-TRE-a9136c7b-100
0.330