Molecular Properties | |
SMILES: | O=C(NCC1CC2(CCO1)NC(=O)N(Cc1ccccc1)C2=O)c1cncnc1 |
MW: | 395.16 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 113.52 |
cLogP: | 0.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAR-TRE-e82e6c98-36
0.552
MAR-TRE-66ac689e-34
0.396
MAR-TRE-799db12b-18
0.392
MAR-TRE-799db12b-67
0.389
MAR-TRE-8190bb11-2
0.385
MAR-TRE-8190bb11-46
0.381
MAR-TRE-66ac689e-83
0.365
MAR-TRE-c317dd82-40
0.365
MAR-TRE-e82e6c98-48
0.362
MAR-TRE-9d18ae8c-81
0.354
MAR-TRE-66ac689e-7
0.354
MAR-TRE-8190bb11-33
0.351
MAR-TRE-66ac689e-20
0.347
MAR-TRE-66ac689e-43
0.347
MAR-TRE-4f781e27-48
0.347
MAR-TRE-c317dd82-4
0.343
MAR-TRE-4f781e27-7
0.343
MAR-TRE-66ac689e-26
0.340
MAR-TRE-799db12b-7
0.340
MAR-TRE-66ac689e-67
0.340
MAR-TRE-e82e6c98-40
0.337
MAR-TRE-e82e6c98-2
0.327
MAR-TRE-799db12b-4
0.324
MAR-TRE-66ac689e-54
0.324
MAR-TRE-9d18ae8c-18
0.324
MAR-TRE-e82e6c98-10
0.324
MAR-TRE-4f781e27-76
0.323
MAR-TRE-a9136c7b-85
0.321
MAR-TRE-be9ff7d2-51
0.320
MAR-TRE-8190bb11-21
0.320
MAR-TRE-8190bb11-40
0.320
MAR-TRE-be9ff7d2-33
0.318
MAR-TRE-66ac689e-1
0.317
MAR-TRE-e82e6c98-61
0.317
MAR-TRE-66ac689e-21
0.317
MAR-TRE-799db12b-51
0.314
MAR-TRE-66ac689e-29
0.314
MAR-TRE-c317dd82-81
0.314
MAR-TRE-92684b97-70
0.313
MAR-TRE-c317dd82-29
0.312
MAR-TRE-799db12b-65
0.311
MAR-TRE-c317dd82-50
0.311
MAR-TRE-799db12b-59
0.311
MAR-TRE-8190bb11-34
0.311
MAR-TRE-4f781e27-75
0.311
MAR-TRE-4f781e27-100
0.310
MAR-TRE-4f781e27-33
0.309
MAR-TRE-66ac689e-33
0.308
MAR-TRE-8190bb11-39
0.308
MAR-TRE-9d18ae8c-52
0.308
MAR-TRE-c317dd82-33
0.308
MAR-TRE-799db12b-44
0.307
MAR-TRE-e82e6c98-22
0.306
MAR-TRE-8190bb11-64
0.306
MAR-TRE-799db12b-89
0.304
MAR-TRE-4f781e27-28
0.303
MAR-TRE-799db12b-69
0.302
MAR-TRE-c317dd82-60
0.302
MAR-TRE-66ac689e-31
0.301
MAR-TRE-799db12b-52
0.301
MAR-TRE-9d18ae8c-58
0.300
MAR-TRE-66ac689e-51
0.300
MAR-TRE-e82e6c98-4
0.300
MAR-TRE-8190bb11-41
0.300
MAR-TRE-799db12b-64
0.299
MAR-TRE-e82e6c98-62
0.299
MAR-TRE-c317dd82-8
0.299
MAR-TRE-8190bb11-96
0.299
MAR-TRE-9d18ae8c-46
0.298
MAR-TRE-799db12b-3
0.298
MAR-TRE-799db12b-2
0.298
MAR-TRE-8190bb11-85
0.298
MAR-TRE-4f781e27-49
0.298
MAR-TRE-be9ff7d2-100
0.297
MAR-TRE-9d18ae8c-65
0.296
MAR-TRE-66ac689e-53
0.296
MAR-TRE-9d18ae8c-36
0.295
MAR-TRE-e82e6c98-6
0.295
MAR-TRE-a9136c7b-11
0.295
MAR-TRE-92684b97-47
0.294
MAR-TRE-4f781e27-92
0.294
MAR-TRE-c317dd82-51
0.294
MAR-TRE-e82e6c98-3
0.294
MAR-TRE-92684b97-11
0.293
MAR-TRE-92684b97-38
0.293
MAR-TRE-c317dd82-69
0.292
MAR-TRE-66ac689e-91
0.292
MAR-TRE-8190bb11-83
0.292
MAR-TRE-799db12b-9
0.292
MAR-TRE-be9ff7d2-90
0.292
MAR-TRE-4f781e27-21
0.292
MAR-TRE-92684b97-52
0.292
MAR-TRE-799db12b-16
0.291
MAR-TRE-8190bb11-30
0.291
MAR-TRE-9d18ae8c-6
0.291
MAR-TRE-8190bb11-86
0.291
MAR-TRE-92684b97-78
0.290
MAR-TRE-66ac689e-12
0.290
MAR-TRE-4f781e27-22
0.290
MAR-TRE-be9ff7d2-17
0.290