Molecular Properties | |
SMILES: | O=C(Nc1ccccc1CN1CCNC1=O)c1cncnc1 |
MW: | 297.12 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.22 |
cLogP: | 1.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-24
0.625
MAR-TRE-799db12b-74
0.549
MAR-TRE-66ac689e-30
0.542
MAR-TRE-9d18ae8c-69
0.514
MAR-TRE-9d18ae8c-35
0.500
MAR-TRE-9d18ae8c-14
0.487
MAR-TRE-66ac689e-26
0.455
MAR-TRE-be9ff7d2-46
0.444
MAR-TRE-799db12b-63
0.400
MAR-TRE-66ac689e-29
0.398
MAR-TRE-8190bb11-51
0.392
MAR-TRE-799db12b-20
0.383
MAR-TRE-4f781e27-34
0.376
MAR-TRE-a9136c7b-57
0.372
MAR-TRE-799db12b-89
0.369
MAR-TRE-9d18ae8c-83
0.360
MAR-TRE-799db12b-60
0.360
MAR-TRE-4f781e27-67
0.352
MAR-TRE-9d18ae8c-58
0.349
MAR-TRE-66ac689e-51
0.349
MAR-TRE-8190bb11-81
0.349
MAR-TRE-a9136c7b-42
0.349
MAR-TRE-66ac689e-31
0.349
MAR-TRE-799db12b-65
0.344
MAR-TRE-92684b97-22
0.344
MAR-TRE-66ac689e-47
0.341
MAR-TRE-66ac689e-21
0.337
MAR-TRE-8190bb11-7
0.337
MAR-TRE-8190bb11-82
0.333
SAM-UNK-2684b532-8
0.330
MAR-TRE-799db12b-64
0.330
MAR-TRE-799db12b-36
0.330
MAR-TRE-66ac689e-50
0.329
MAR-TRE-4f781e27-19
0.329
MAR-TRE-9d18ae8c-12
0.326
MAR-TRE-a9136c7b-10
0.326
MAR-TRE-a9136c7b-65
0.326
MAR-TRE-799db12b-72
0.326
MAR-TRE-8190bb11-90
0.326
MAR-TRE-a9136c7b-34
0.326
MAR-TRE-be9ff7d2-44
0.325
MAR-TRE-c317dd82-96
0.325
MAR-TRE-799db12b-40
0.322
MAR-TRE-8190bb11-100
0.322
MAR-TRE-92684b97-25
0.322
MAR-TRE-c317dd82-90
0.322
MAR-TRE-799db12b-9
0.320
MAR-TRE-799db12b-17
0.319
MAR-TRE-66ac689e-76
0.318
MAR-TRE-66ac689e-7
0.318
MAR-TRE-e82e6c98-5
0.318
MAR-TRE-be9ff7d2-6
0.318
MAR-TRE-92684b97-54
0.318
MAR-TRE-9d18ae8c-73
0.317
MAR-TRE-4f781e27-49
0.316
MAR-TRE-8190bb11-27
0.316
MAR-TRE-66ac689e-83
0.314
MAR-TRE-9d18ae8c-2
0.314
MAR-TRE-e82e6c98-24
0.312
MAR-TRE-c317dd82-59
0.311
MAR-TRE-799db12b-34
0.311
MAR-TRE-4f781e27-57
0.311
MAR-TRE-66ac689e-35
0.310
MAR-TRE-66ac689e-43
0.310
MAR-TRE-8190bb11-64
0.309
MAR-TRE-799db12b-99
0.308
MAR-TRE-8190bb11-30
0.307
MAR-TRE-9d18ae8c-70
0.307
MAR-TRE-e82e6c98-80
0.305
MAR-TRE-4f781e27-12
0.305
MAR-TRE-9d18ae8c-61
0.304
MAR-TRE-66ac689e-34
0.303
MAR-TRE-8190bb11-46
0.303
MAR-TRE-a9136c7b-31
0.302
MAR-TRE-be9ff7d2-25
0.301
MAR-TRE-66ac689e-88
0.301
MAR-TRE-8190bb11-65
0.301
MAR-TRE-8190bb11-96
0.301
MAR-TRE-9d18ae8c-15
0.301
MAR-TRE-66ac689e-54
0.301
MAR-TRE-a9136c7b-38
0.301
MAR-TRE-8190bb11-4
0.300
MAR-TRE-4f781e27-98
0.300
MAR-TRE-c317dd82-27
0.299
MAR-TRE-66ac689e-2
0.299
MAR-TRE-9d18ae8c-29
0.299
MAR-TRE-66ac689e-53
0.298
MAR-TRE-a9136c7b-32
0.298
MAR-TRE-4f781e27-1
0.298
MAR-TRE-e82e6c98-83
0.298
MAR-TRE-c317dd82-7
0.297
MAR-TRE-be9ff7d2-36
0.296
MAR-TRE-be9ff7d2-94
0.296
MAR-TRE-e82e6c98-27
0.296
MAR-TRE-66ac689e-20
0.295
MAR-TRE-be9ff7d2-16
0.294
MAR-TRE-4f781e27-43
0.294
MAR-TRE-be9ff7d2-85
0.293
MAR-TRE-799db12b-25
0.293
MAR-TRE-be9ff7d2-88
0.293