Molecular Properties | |
SMILES: | CN1C(=O)COC(CNC(=O)c2cncnc2)C1c1ccnn1C |
MW: | 330.14 |
Fraction sp3: | 0.4 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 102.24 |
cLogP: | -0.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-96
0.731
MAR-TRE-e82e6c98-37
0.730
MAR-TRE-be9ff7d2-24
0.705
MAR-TRE-e82e6c98-62
0.641
MAR-TRE-e82e6c98-4
0.590
MAR-TRE-c317dd82-60
0.588
MAR-TRE-be9ff7d2-80
0.553
MAR-TRE-e82e6c98-10
0.512
MAR-TRE-be9ff7d2-100
0.511
MAR-TRE-e82e6c98-3
0.461
MAR-TRE-e82e6c98-82
0.416
MAR-TRE-8190bb11-46
0.414
MAR-TRE-be9ff7d2-33
0.411
MAR-TRE-c317dd82-64
0.398
MAR-TRE-e82e6c98-84
0.375
MAR-TRE-be9ff7d2-47
0.375
MAR-TRE-e82e6c98-49
0.372
MAR-TRE-be9ff7d2-77
0.370
MAR-TRE-a9136c7b-83
0.365
MAR-TRE-799db12b-67
0.363
MAR-TRE-a9136c7b-47
0.359
MAR-TRE-c317dd82-92
0.356
MAR-TRE-be9ff7d2-92
0.352
MAR-TRE-e82e6c98-30
0.349
MAR-TRE-e82e6c98-48
0.345
MAR-TRE-e82e6c98-22
0.345
MAR-TRE-e82e6c98-96
0.344
MAR-TRE-e82e6c98-26
0.341
MAR-TRE-a9136c7b-95
0.340
MAR-TRE-e82e6c98-12
0.337
MAR-TRE-c317dd82-5
0.337
MAR-TRE-c317dd82-85
0.337
MAR-TRE-c317dd82-20
0.333
MAR-TRE-e82e6c98-40
0.333
MAR-TRE-e82e6c98-56
0.333
MAR-TRE-a9136c7b-2
0.333
MAR-TRE-be9ff7d2-51
0.330
MAR-TRE-4f781e27-97
0.330
MAR-TRE-be9ff7d2-97
0.330
MAR-TRE-66ac689e-20
0.330
MAR-TRE-4f781e27-92
0.330
MAR-TRE-e82e6c98-77
0.329
MAR-TRE-e82e6c98-61
0.326
MAR-TRE-8190bb11-30
0.326
MAR-TRE-a9136c7b-63
0.323
MAR-TRE-e82e6c98-5
0.323
MAR-TRE-e82e6c98-64
0.323
MAR-TRE-e82e6c98-2
0.323
MAR-TRE-799db12b-7
0.323
MAR-TRE-4f781e27-88
0.323
MAR-TRE-66ac689e-26
0.322
MAR-TRE-8190bb11-96
0.322
MAR-TRE-c317dd82-29
0.320
MAR-TRE-a9136c7b-72
0.320
MAR-TRE-c317dd82-50
0.320
MAR-TRE-be9ff7d2-55
0.319
MAR-TRE-e82e6c98-36
0.319
MAR-TRE-8190bb11-33
0.319
MAR-TRE-c317dd82-34
0.319
MAR-TRE-c317dd82-73
0.318
MAR-TRE-e82e6c98-71
0.318
MAR-TRE-a9136c7b-85
0.316
MAR-TRE-4f781e27-48
0.316
MAR-TRE-e82e6c98-6
0.316
MAR-TRE-c317dd82-33
0.316
MAR-TRE-c317dd82-6
0.315
MAR-TRE-be9ff7d2-13
0.315
MAR-TRE-e82e6c98-47
0.314
MAR-TRE-8190bb11-9
0.313
MAR-TRE-a9136c7b-93
0.312
MAR-TRE-be9ff7d2-14
0.312
MAR-TRE-66ac689e-21
0.312
MAR-TRE-8190bb11-86
0.312
MAR-TRE-c317dd82-4
0.312
MAR-TRE-a9136c7b-61
0.312
MAR-TRE-66ac689e-78
0.312
MAR-TRE-4f781e27-7
0.312
MAR-TRE-e82e6c98-72
0.310
MAR-TRE-be9ff7d2-31
0.310
MAR-TRE-799db12b-18
0.310
MAR-TRE-be9ff7d2-95
0.309
MAR-TRE-be9ff7d2-27
0.309
MAR-TRE-92684b97-37
0.309
MAR-TRE-66ac689e-67
0.309
MAR-TRE-c317dd82-81
0.309
MAR-TRE-799db12b-22
0.309
MAR-TRE-4f781e27-65
0.309
MAR-TRE-799db12b-38
0.308
MAR-TRE-4f781e27-99
0.307
MAR-TRE-be9ff7d2-25
0.307
MAR-TRE-799db12b-35
0.307
MAR-TRE-8190bb11-85
0.306
MAR-TRE-8190bb11-24
0.306
MAR-TRE-4f781e27-89
0.305
MAR-TRE-a9136c7b-4
0.305
MAR-TRE-c317dd82-40
0.304
MAR-TRE-c317dd82-57
0.304
MAR-TRE-e82e6c98-34
0.304
MAR-TRE-66ac689e-6
0.304
MAR-TRE-4f781e27-76
0.304