Molecular Properties | |
SMILES: | CN1C(=O)CC(CNC(=O)NC(=O)c2cncnc2)C1C1CCCNC1 |
MW: | 360.19 |
Fraction sp3: | 0.59 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 116.32 |
cLogP: | -0.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
MAR-TRE-e82e6c98-82
0.404
MAR-TRE-8190bb11-46
0.387
MAR-TRE-c317dd82-60
0.385
MAR-TRE-be9ff7d2-77
0.375
MAR-TRE-e82e6c98-10
0.368
MAR-TRE-799db12b-67
0.355
MAR-TRE-e82e6c98-84
0.353
MAR-TRE-4f781e27-64
0.352
MAR-TRE-e82e6c98-49
0.350
MAR-TRE-9d18ae8c-23
0.347
MAR-TRE-e82e6c98-59
0.340
MAR-TRE-c317dd82-20
0.340
MAR-TRE-e82e6c98-94
0.333
MAR-TRE-a9136c7b-83
0.330
MAR-TRE-c317dd82-15
0.330
MAR-TRE-be9ff7d2-25
0.330
MAR-TRE-be9ff7d2-71
0.323
MAR-TRE-e82e6c98-22
0.323
MAR-TRE-be9ff7d2-44
0.323
MAR-TRE-c317dd82-51
0.320
MAR-TRE-c317dd82-9
0.319
MAR-TRE-c317dd82-54
0.319
MAR-TRE-e82e6c98-37
0.314
MAR-TRE-c317dd82-72
0.313
MAR-TRE-c317dd82-61
0.313
MAR-TRE-c317dd82-57
0.312
MAR-TRE-be9ff7d2-87
0.308
MAR-TRE-be9ff7d2-14
0.306
MAR-TRE-be9ff7d2-96
0.306
MAR-TRE-c317dd82-5
0.304
MAR-TRE-be9ff7d2-74
0.303
MAK-UNK-748f8b7a-7
0.303
MAR-TRE-c317dd82-64
0.303
MAR-TRE-66ac689e-60
0.301
MAR-TRE-c317dd82-17
0.300
MAR-TRE-a9136c7b-44
0.300
MAR-TRE-be9ff7d2-24
0.299
MAR-TRE-4f781e27-76
0.299
MAR-TRE-be9ff7d2-94
0.297
MAR-TRE-e82e6c98-60
0.296
MAR-TRE-c317dd82-21
0.295
MAR-TRE-92684b97-38
0.295
MAR-TRE-e82e6c98-48
0.295
MAR-TRE-a9136c7b-95
0.294
MAR-TRE-92684b97-52
0.293
MAR-TRE-4f781e27-7
0.293
MAR-TRE-e82e6c98-8
0.293
MAR-TRE-4f781e27-8
0.292
MAR-TRE-799db12b-13
0.291
MAR-TRE-c317dd82-85
0.291
MAR-TRE-799db12b-11
0.291
MAR-TRE-be9ff7d2-38
0.290
MAR-TRE-e82e6c98-26
0.290
MAR-TRE-e82e6c98-72
0.290
MAR-TRE-e82e6c98-5
0.290
MAR-TRE-be9ff7d2-81
0.290
MAR-TRE-be9ff7d2-80
0.290
MAR-TRE-e82e6c98-4
0.290
MAR-TRE-9d18ae8c-58
0.289
MAR-TRE-c317dd82-83
0.288
MAR-TRE-e82e6c98-62
0.288
MAR-TRE-c317dd82-30
0.287
MAR-TRE-e82e6c98-40
0.287
MAR-TRE-be9ff7d2-46
0.287
MAR-TRE-be9ff7d2-100
0.287
MAR-TRE-8190bb11-33
0.286
MAR-TRE-c317dd82-98
0.286
MAR-TRE-c317dd82-49
0.284
MAR-TRE-e82e6c98-73
0.284
MAR-TRE-c317dd82-33
0.284
MAR-TRE-66ac689e-47
0.284
MAR-TRE-a9136c7b-47
0.284
MAR-TRE-e82e6c98-3
0.283
MAR-TRE-c317dd82-6
0.283
MAR-TRE-be9ff7d2-50
0.283
MAR-TRE-e82e6c98-17
0.282
MAR-TRE-92684b97-33
0.282
MAR-TRE-be9ff7d2-99
0.282
MAR-TRE-c317dd82-87
0.281
MAR-TRE-be9ff7d2-42
0.281
MAR-TRE-a9136c7b-63
0.280
MAR-TRE-c317dd82-78
0.280
MAR-TRE-66ac689e-21
0.280
MAR-TRE-4f781e27-77
0.280
MAR-TRE-8190bb11-79
0.280
MAR-TRE-c317dd82-4
0.280
MAR-TRE-e82e6c98-7
0.280
MAR-TRE-be9ff7d2-88
0.280
MAR-TRE-4f781e27-41
0.280
MAR-TRE-799db12b-8
0.279
MAR-TRE-92684b97-83
0.278
MAR-TRE-be9ff7d2-19
0.278
MAR-TRE-4f781e27-65
0.277
MAR-TRE-e82e6c98-2
0.277
MAR-TRE-66ac689e-29
0.277
MAR-TRE-799db12b-64
0.276
MAR-TRE-c317dd82-2
0.276
MAR-TRE-e82e6c98-85
0.276
MAR-TRE-a9136c7b-79
0.276
MAR-TRE-a9136c7b-2
0.276